3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

C18H24N6O — CID 126890517

IUPAC3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(c3nccn(C)c3=O)CC2)ncn1
InChIInChI=1S/C18H24N6O/c1-13-11-16(21-12-20-13)24(14-3-4-14)15-5-8-23(9-6-15)17-18(25)22(2)10-7-19-17/h7,10-12,14-15H,3-6,8-9H2,1-2H3
InChIKeyACMIZVSJZWPYJI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.52
Rot. Bonds4

About 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 126890517) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID126890517
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(c3nccn(C)c3=O)CC2)ncn1
InChIInChI=1S/C18H24N6O/c1-13-11-16(21-12-20-13)24(14-3-4-14)15-5-8-23(9-6-15)17-18(25)22(2)10-7-19-17/h7,10-12,14-15H,3-6,8-9H2,1-2H3
InChIKeyACMIZVSJZWPYJI-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 126890517) is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is Cc1cc(N(C2CC2)C2CCN(c3nccn(C)c3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is ACMIZVSJZWPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-11-16(21-12-20-13)24(14-3-4-14)15-5-8-23(9-6-15)17-18(25)22(2)10-7-19-17/h7,10-12,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126890517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).