N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H20N6O — CID 133355766

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC(Nc1nc(-c2ccccn2)nc2c1CCC2)c1noc(C)n1
InChIInChI=1S/C18H20N6O/c1-3-13(18-20-11(2)25-24-18)21-16-12-7-6-9-14(12)22-17(23-16)15-8-4-5-10-19-15/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,21,22,23)
InChIKeyBDMLBVOMQPEIBV-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133355766) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133355766
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC(Nc1nc(-c2ccccn2)nc2c1CCC2)c1noc(C)n1
InChIInChI=1S/C18H20N6O/c1-3-13(18-20-11(2)25-24-18)21-16-12-7-6-9-14(12)22-17(23-16)15-8-4-5-10-19-15/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,21,22,23)
InChIKeyBDMLBVOMQPEIBV-UHFFFAOYSA-N
XLogP3.28
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 124626058
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 136559621
(3R)-4-methylsulfanyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 95775354
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133480741
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133355631
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 133400357
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
CID 122058595
2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 133324076
2-(5-methyl-2-pyridinyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81311695
2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133344011
N-[1-(2-methoxyphenyl)propyl]-N-methyl-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 167797977

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133355766) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCC(Nc1nc(-c2ccccn2)nc2c1CCC2)c1noc(C)n1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BDMLBVOMQPEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-13(18-20-11(2)25-24-18)21-16-12-7-6-9-14(12)22-17(23-16)15-8-4-5-10-19-15/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,21,22,23).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133355766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).