2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one

C16H24N4O2 — CID 143871174

IUPAC2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCOCC2)nc(CC2CCCC2)[nH]c1=O
InChIInChI=1S/C16H24N4O2/c17-10-13-15(18-12-5-7-22-8-6-12)19-14(20-16(13)21)9-11-3-1-2-4-11/h10-12,17H,1-9H2,(H2,18,19,20,21)/b17-10+
InChIKeyFDGRZSWLNZZVEI-LICLKQGHSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds5

About 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one

2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 143871174) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
PubChem CID143871174
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCOCC2)nc(CC2CCCC2)[nH]c1=O
InChIInChI=1S/C16H24N4O2/c17-10-13-15(18-12-5-7-22-8-6-12)19-14(20-16(13)21)9-11-3-1-2-4-11/h10-12,17H,1-9H2,(H2,18,19,20,21)/b17-10+
InChIKeyFDGRZSWLNZZVEI-LICLKQGHSA-N
XLogP2.09
TPSA90.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one (CID 143871174) is 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one is [H]/N=C/c1c(NC2CCOCC2)nc(CC2CCCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FDGRZSWLNZZVEI-LICLKQGHSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-10-13-15(18-12-5-7-22-8-6-12)19-14(20-16(13)21)9-11-3-1-2-4-11/h10-12,17H,1-9H2,(H2,18,19,20,21)/b17-10+.
What are the key properties of 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-methanimidoyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 143871174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).