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

C11H17ClN4O — CID 136970666

IUPAC5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyCJZWIWMAFOSKNY-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.95
Rot. Bonds2

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

5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136970666) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136970666
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyCJZWIWMAFOSKNY-UHFFFAOYSA-N
XLogP0.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726434
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780977
5-chloro-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780984
5-chloro-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780992
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136781011
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800370

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136970666) is 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CN1CCC(N(C)c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is CJZWIWMAFOSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).