1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one

C14H18N6O — CID 25131561

IUPAC1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one
SMILESCN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1
InChIInChI=1S/C14H18N6O/c1-18-6-8-19(9-7-18)11-10-12(17-14(15)16-11)20-5-3-2-4-13(20)21/h2-5,10H,6-9H2,1H3,(H2,15,16,17)
InChIKeyOJHQVXKWXRZSKG-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.04
Rot. Bonds2

About 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one

1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one (PubChem CID 25131561) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one
PubChem CID25131561
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one
SMILESCN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1
InChIInChI=1S/C14H18N6O/c1-18-6-8-19(9-7-18)11-10-12(17-14(15)16-11)20-5-3-2-4-13(20)21/h2-5,10H,6-9H2,1H3,(H2,15,16,17)
InChIKeyOJHQVXKWXRZSKG-UHFFFAOYSA-N
XLogP-0.04
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one (CID 25131561) is 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one is CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1.
What is the InChIKey of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is OJHQVXKWXRZSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-6-8-19(9-7-18)11-10-12(17-14(15)16-11)20-5-3-2-4-13(20)21/h2-5,10H,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one?
1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 286.34 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 25131561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).