5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

C13H21ClN4O — CID 136805321

IUPAC5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-2-7-18(8-10-5-3-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySRGKCVSFAKXBHX-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.78
Rot. Bonds5

About 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805321) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805321
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-2-7-18(8-10-5-3-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySRGKCVSFAKXBHX-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805321) is 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCCN1)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SRGKCVSFAKXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-2-7-18(8-10-5-3-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).