5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

C11H17ClN4O — CID 136805330

IUPAC5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCNC1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-16(6-8-3-2-4-13-5-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyDUKGBMXXWMSYLB-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.86
Rot. Bonds3

About 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805330) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805330
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCNC1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-16(6-8-3-2-4-13-5-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyDUKGBMXXWMSYLB-UHFFFAOYSA-N
XLogP0.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805330) is 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCNC1)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DUKGBMXXWMSYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(6-8-3-2-4-13-5-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17).
What are the key properties of 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).