3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

C33H35N9O2 — CID 90811514

IUPAC3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCc3c(nc(-c4ccc(N5C=NC=C[C@@H]5OCc5ccccc5)nc4)nc3N3CCOCC3C)C2)ncn1
InChIInChI=1S/C33H35N9O2/c1-23-16-30(37-21-36-23)40-13-11-27-28(18-40)38-32(39-33(27)41-14-15-43-19-24(41)2)26-8-9-29(35-17-26)42-22-34-12-10-31(42)44-20-25-6-4-3-5-7-25/h3-10,12,16-17,21-22,24,31H,11,13-15,18-20H2,1-2H3/t24?,31-/m0/s1
InChIKeyMQYZOBZHXNWLSL-KEASEGHRSA-N
MW589.70 g/mol
LogP4.33
Rot. Bonds7

About 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 90811514) has the molecular formula C33H35N9O2 and a molecular weight of 589.70 g/mol. Its IUPAC name is 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID90811514
Molecular FormulaC33H35N9O2
Molecular Weight589.70 g/mol
Exact Mass589.29
IUPAC Name3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCc3c(nc(-c4ccc(N5C=NC=C[C@@H]5OCc5ccccc5)nc4)nc3N3CCOCC3C)C2)ncn1
InChIInChI=1S/C33H35N9O2/c1-23-16-30(37-21-36-23)40-13-11-27-28(18-40)38-32(39-33(27)41-14-15-43-19-24(41)2)26-8-9-29(35-17-26)42-22-34-12-10-31(42)44-20-25-6-4-3-5-7-25/h3-10,12,16-17,21-22,24,31H,11,13-15,18-20H2,1-2H3/t24?,31-/m0/s1
InChIKeyMQYZOBZHXNWLSL-KEASEGHRSA-N
XLogP4.33
TPSA104.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

7-(6-Morpholin-4-yl-pyridin-3-yl)-5-(tetrahydro-pyran-4-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381587
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
CID 57442001
N-[4-[5,6,7,8-Tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-2-pyrimidinamine
CID 59239271
(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501641
(2R,6S)-2,6-dimethyl-4-(4-morpholin-4-yl-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 46882230
[3-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 76321204
2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 127041882
4-[[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
CID 132510851
4-[1-[6-(5-Methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155540693
4-[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine
CID 155562076
4-[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride
CID 155563837
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 90811514) is 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is Cc1cc(N2CCc3c(nc(-c4ccc(N5C=NC=C[C@@H]5OCc5ccccc5)nc4)nc3N3CCOCC3C)C2)ncn1.
What is the InChIKey of 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is MQYZOBZHXNWLSL-KEASEGHRSA-N. The full InChI is InChI=1S/C33H35N9O2/c1-23-16-30(37-21-36-23)40-13-11-27-28(18-40)38-32(39-33(27)41-14-15-43-19-24(41)2)26-8-9-29(35-17-26)42-22-34-12-10-31(42)44-20-25-6-4-3-5-7-25/h3-10,12,16-17,21-22,24,31H,11,13-15,18-20H2,1-2H3/t24?,31-/m0/s1.
What are the key properties of 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 589.70 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[7-(6-methylpyrimidin-4-yl)-2-[6-[(4S)-4-phenylmethoxy-4H-pyrimidin-3-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90811514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).