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

C18H20N6O2 — CID 56740075

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1
InChIInChI=1S/C18H20N6O2/c1-25-11-15-22-16(26-24-15)10-20-18-13-7-8-19-9-14(13)21-17(23-18)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,20,21,23)
InChIKeyDGGQRJCJDGBZEQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.93
Rot. Bonds6

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

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56740075) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56740075
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1
InChIInChI=1S/C18H20N6O2/c1-25-11-15-22-16(26-24-15)10-20-18-13-7-8-19-9-14(13)21-17(23-18)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,20,21,23)
InChIKeyDGGQRJCJDGBZEQ-UHFFFAOYSA-N
XLogP1.93
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1R,9S)-4-[4-(ethylcarbamoylamino)phenyl]-6-[(3S)-3-methylmorpholin-4-yl]-3,5,12-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]-N,2-dimethylpropanamide
CID 71719453
4-Amino-2-(2-methoxyethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46241781
4-Methyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 45876187
N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide
CID 162667382
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-3-benzyl-1,2,4-oxadiazole-5-carboxamide
CID 58081292
(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
3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063790
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-Methyl-5-[1-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53558614

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56740075) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is COCc1noc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DGGQRJCJDGBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-11-15-22-16(26-24-15)10-20-18-13-7-8-19-9-14(13)21-17(23-18)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,20,21,23).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56740075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).