4-amino-1-(cyclopropylmethyl)pyrimidin-2-one

C8H11N3O — CID 21444320

IUPAC4-amino-1-(cyclopropylmethyl)pyrimidin-2-one
SMILESNc1ccn(CC2CC2)c(=O)n1
InChIInChI=1S/C8H11N3O/c9-7-3-4-11(8(12)10-7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,9,10,12)
InChIKeySDPKJYGDPREKJW-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.24
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one

4-amino-1-(cyclopropylmethyl)pyrimidin-2-one (PubChem CID 21444320) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)pyrimidin-2-one
PubChem CID21444320
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-1-(cyclopropylmethyl)pyrimidin-2-one
SMILESNc1ccn(CC2CC2)c(=O)n1
InChIInChI=1S/C8H11N3O/c9-7-3-4-11(8(12)10-7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,9,10,12)
InChIKeySDPKJYGDPREKJW-UHFFFAOYSA-N
XLogP0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one (CID 21444320) is 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one is Nc1ccn(CC2CC2)c(=O)n1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one?
The InChIKey is SDPKJYGDPREKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-7-3-4-11(8(12)10-7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,9,10,12).
What are the key properties of 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one?
4-amino-1-(cyclopropylmethyl)pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)pyrimidin-2-one is sourced from PubChem (CID 21444320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).