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

C20H23N5O — CID 133347418

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C20H23N5O/c1-13-16(14(2)26-25-13)6-4-10-22-20-17-5-3-7-18(17)23-19(24-20)15-8-11-21-12-9-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,22,23,24)
InChIKeyUHTNDJXVWQVIAF-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.68
Rot. Bonds6

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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133347418) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133347418
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C20H23N5O/c1-13-16(14(2)26-25-13)6-4-10-22-20-17-5-3-7-18(17)23-19(24-20)15-8-11-21-12-9-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,22,23,24)
InChIKeyUHTNDJXVWQVIAF-UHFFFAOYSA-N
XLogP3.68
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 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) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1noc(C)c1CCCNc1nc(-c2ccncc2)nc2c1CCC2.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UHTNDJXVWQVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-16(14(2)26-25-13)6-4-10-22-20-17-5-3-7-18(17)23-19(24-20)15-8-11-21-12-9-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133347418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).