4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one

C14H14N6O — CID 139498977

IUPAC4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one
SMILESNc1ccn(Cc2cn3cc(C4CC4)cnc3n2)c(=O)n1
InChIInChI=1S/C14H14N6O/c15-12-3-4-19(14(21)18-12)7-11-8-20-6-10(9-1-2-9)5-16-13(20)17-11/h3-6,8-9H,1-2,7H2,(H2,15,18,21)
InChIKeyDKZMOXWFIZYAAO-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.79
Rot. Bonds3

About 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one

4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one (PubChem CID 139498977) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one
PubChem CID139498977
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one
SMILESNc1ccn(Cc2cn3cc(C4CC4)cnc3n2)c(=O)n1
InChIInChI=1S/C14H14N6O/c15-12-3-4-19(14(21)18-12)7-11-8-20-6-10(9-1-2-9)5-16-13(20)17-11/h3-6,8-9H,1-2,7H2,(H2,15,18,21)
InChIKeyDKZMOXWFIZYAAO-UHFFFAOYSA-N
XLogP0.79
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one (CID 139498977) is 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one is Nc1ccn(Cc2cn3cc(C4CC4)cnc3n2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one?
The InChIKey is DKZMOXWFIZYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-12-3-4-19(14(21)18-12)7-11-8-20-6-10(9-1-2-9)5-16-13(20)17-11/h3-6,8-9H,1-2,7H2,(H2,15,18,21).
What are the key properties of 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one?
4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one has a molecular weight of 282.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 139498977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).