N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine

C16H18N6O — CID 72914508

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2noc(C3CCCC3)n2)c2cccnc2n1
InChIInChI=1S/C16H18N6O/c1-10-19-14-12(7-4-8-17-14)15(20-10)18-9-13-21-16(23-22-13)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18,19,20)
InChIKeyXPAWUJPYPGAKKR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.99
Rot. Bonds4

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72914508) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72914508
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2noc(C3CCCC3)n2)c2cccnc2n1
InChIInChI=1S/C16H18N6O/c1-10-19-14-12(7-4-8-17-14)15(20-10)18-9-13-21-16(23-22-13)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18,19,20)
InChIKeyXPAWUJPYPGAKKR-UHFFFAOYSA-N
XLogP2.99
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine
CID 72853398
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
CID 84596345
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72931926
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 72932305
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 72873766
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 72914508) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2noc(C3CCCC3)n2)c2cccnc2n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XPAWUJPYPGAKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-19-14-12(7-4-8-17-14)15(20-10)18-9-13-21-16(23-22-13)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18,19,20).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).