3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine

C22H28N6O — CID 66960077

IUPAC3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCN1C=Nc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2C1
InChIInChI=1S/C22H28N6O/c1-27-13-19-21(24-15-27)12-20(26-22(19)25-17-6-11-29-14-17)16-2-4-18(5-3-16)28-9-7-23-8-10-28/h2-5,12,15,17,23H,6-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyBNEYYNDMJJACCK-QGZVFWFLSA-N
MW392.51 g/mol
LogP2.46
Rot. Bonds4

About 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine

3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 66960077) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID66960077
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCN1C=Nc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2C1
InChIInChI=1S/C22H28N6O/c1-27-13-19-21(24-15-27)12-20(26-22(19)25-17-6-11-29-14-17)16-2-4-18(5-3-16)28-9-7-23-8-10-28/h2-5,12,15,17,23H,6-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyBNEYYNDMJJACCK-QGZVFWFLSA-N
XLogP2.46
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66959625
2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
CID 66959916
N-cyclopropyl-3-methyl-7-(6-piperidin-1-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66959667
2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
CID 66959330
7-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959684
3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
CID 90426358
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine
CID 90098558
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine (CID 66960077) is 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine is CN1C=Nc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2C1.
What is the InChIKey of 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is BNEYYNDMJJACCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N6O/c1-27-13-19-21(24-15-27)12-20(26-22(19)25-17-6-11-29-14-17)16-2-4-18(5-3-16)28-9-7-23-8-10-28/h2-5,12,15,17,23H,6-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine?
3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 392.51 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 66960077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).