2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

C14H20N4O2 — CID 143871223

IUPAC2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCOC2)nc(CC2CC2)[nH]c1=O
InChIInChI=1S/C14H20N4O2/c15-7-11-13(16-10-2-1-5-20-8-10)17-12(18-14(11)19)6-9-3-4-9/h7,9-10,15H,1-6,8H2,(H2,16,17,18,19)/b15-7+
InChIKeyMWCUDSBBXVALLR-VIZOYTHASA-N
MW276.34 g/mol
LogP1.31
Rot. Bonds5

About 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 143871223) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID143871223
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCOC2)nc(CC2CC2)[nH]c1=O
InChIInChI=1S/C14H20N4O2/c15-7-11-13(16-10-2-1-5-20-8-10)17-12(18-14(11)19)6-9-3-4-9/h7,9-10,15H,1-6,8H2,(H2,16,17,18,19)/b15-7+
InChIKeyMWCUDSBBXVALLR-VIZOYTHASA-N
XLogP1.31
TPSA90.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.31
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-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (CID 143871223) is 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one is [H]/N=C/c1c(NC2CCCOC2)nc(CC2CC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MWCUDSBBXVALLR-VIZOYTHASA-N. The full InChI is InChI=1S/C14H20N4O2/c15-7-11-13(16-10-2-1-5-20-8-10)17-12(18-14(11)19)6-9-3-4-9/h7,9-10,15H,1-6,8H2,(H2,16,17,18,19)/b15-7+.
What are the key properties of 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 143871223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).