5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one

C13H21ClN4O — CID 137213960

IUPAC5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC2CCN(C)CC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H21ClN4O/c1-9-15-12(11(14)13(19)16-9)18(3)8-10-4-6-17(2)7-5-10/h10H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyHZUGESJWAMXNCK-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.51
Rot. Bonds3

About 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one

5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 137213960) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID137213960
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC2CCN(C)CC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H21ClN4O/c1-9-15-12(11(14)13(19)16-9)18(3)8-10-4-6-17(2)7-5-10/h10H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyHZUGESJWAMXNCK-UHFFFAOYSA-N
XLogP1.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one (CID 137213960) is 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one is Cc1nc(N(C)CC2CCN(C)CC2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is HZUGESJWAMXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9-15-12(11(14)13(19)16-9)18(3)8-10-4-6-17(2)7-5-10/h10H,4-8H2,1-3H3,(H,15,16,19).
What are the key properties of 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one?
5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137213960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).