[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone

C16H25N5O — CID 46345581

IUPAC[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C16H25N5O/c1-13-14(15(22)20-6-4-3-5-7-20)12-17-16(18-13)21-10-8-19(2)9-11-21/h12H,3-11H2,1-2H3
InChIKeyPFUAQWIHNWYCDH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.16
Rot. Bonds2

About [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone

[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 46345581) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID46345581
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C16H25N5O/c1-13-14(15(22)20-6-4-3-5-7-20)12-17-16(18-13)21-10-8-19(2)9-11-21/h12H,3-11H2,1-2H3
InChIKeyPFUAQWIHNWYCDH-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 46345581) is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCCC1.
What is the InChIKey of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is PFUAQWIHNWYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-14(15(22)20-6-4-3-5-7-20)12-17-16(18-13)21-10-8-19(2)9-11-21/h12H,3-11H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46345581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).