N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C17H20N4O — CID 95111490

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CCC3)ccn1
InChIInChI=1S/C17H20N4O/c1-4-14-15(5-1)20-16(12-6-8-18-9-7-12)21-17(14)19-11-13-3-2-10-22-13/h6-9,13H,1-5,10-11H2,(H,19,20,21)/t13-/m1/s1
InChIKeyBNRNXZQBEFVAST-CYBMUJFWSA-N
MW296.37 g/mol
LogP2.62
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 95111490) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID95111490
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CCC3)ccn1
InChIInChI=1S/C17H20N4O/c1-4-14-15(5-1)20-16(12-6-8-18-9-7-12)21-17(14)19-11-13-3-2-10-22-13/h6-9,13H,1-5,10-11H2,(H,19,20,21)/t13-/m1/s1
InChIKeyBNRNXZQBEFVAST-CYBMUJFWSA-N
XLogP2.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50959211
1-cyclopentyl-2-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 133306823
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56740936
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95193387
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133347418
2-benzyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 59312322
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95877228
[(1R,4S)-4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
CID 75424168

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 95111490) is N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CCC3)ccn1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BNRNXZQBEFVAST-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-14-15(5-1)20-16(12-6-8-18-9-7-12)21-17(14)19-11-13-3-2-10-22-13/h6-9,13H,1-5,10-11H2,(H,19,20,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 95111490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).