N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H22N6O2 — CID 56746259

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)n1
InChIInChI=1S/C19H22N6O2/c1-26-12-16-23-17(27-25-16)8-10-21-19-14-7-9-20-11-15(14)22-18(24-19)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,21,22,24)
InChIKeyOXGPGTMIPPNCBC-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.97
Rot. Bonds7

About N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56746259) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56746259
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)n1
InChIInChI=1S/C19H22N6O2/c1-26-12-16-23-17(27-25-16)8-10-21-19-14-7-9-20-11-15(14)22-18(24-19)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,21,22,24)
InChIKeyOXGPGTMIPPNCBC-UHFFFAOYSA-N
XLogP1.97
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-Methyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 45876187
(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine
CID 129252304
(3R,4S)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine
CID 129252305
3-benzyl-5-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 45822544
N-[(5-Isopropyl-1,2,4-oxadiazol-3-YL)methyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 50957117
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 50972777
3-benzyl-5-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2,4-oxadiazole
CID 53566725
3-benzyl-5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-1,2,4-oxadiazole
CID 53573518
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53573520
2-[[3-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine
CID 71933431
3-benzyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2,4-oxadiazole
CID 72140226
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
CID 72144482

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56746259) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is COCc1noc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OXGPGTMIPPNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-12-16-23-17(27-25-16)8-10-21-19-14-7-9-20-11-15(14)22-18(24-19)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,21,22,24).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56746259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).