[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone

C15H16ClN5O — CID 31537716

IUPAC[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C15H16ClN5O/c16-12-10-13(19-15(17)18-12)20-6-8-21(9-7-20)14(22)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,19)
InChIKeyXIPPPXDGWNLEIF-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.67
Rot. Bonds2

About [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone

[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 31537716) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
PubChem CID31537716
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C15H16ClN5O/c16-12-10-13(19-15(17)18-12)20-6-8-21(9-7-20)14(22)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,19)
InChIKeyXIPPPXDGWNLEIF-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 175650790
methyl (2R)-2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 31537980
[4-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
CID 1055678
6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 162637403

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (CID 31537716) is [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is Nc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is XIPPPXDGWNLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-10-13(19-15(17)18-12)20-6-8-21(9-7-20)14(22)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,19).
What are the key properties of [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 317.78 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 31537716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).