4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one

C9H13ClN4O — CID 136873262

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C9H13ClN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyBCSMOPGTOFYJON-ZCFIWIBFSA-N
MW228.68 g/mol
LogP0.35
Rot. Bonds1

About 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one

4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136873262) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136873262
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C9H13ClN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyBCSMOPGTOFYJON-ZCFIWIBFSA-N
XLogP0.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
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
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970
5-chloro-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780977

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136873262) is 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is N[C@@H]1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is BCSMOPGTOFYJON-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 228.68 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136873262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).