[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C21H27N5O — CID 109360829

IUPAC[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1nc(NC2CC2)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C21H27N5O/c1-14-5-4-6-19(15(14)2)25-9-11-26(12-10-25)21(27)18-13-20(23-16(3)22-18)24-17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,22,23,24)
InChIKeyJVFFUQRDTSOZMS-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.94
Rot. Bonds4

About [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 109360829) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID109360829
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1nc(NC2CC2)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C21H27N5O/c1-14-5-4-6-19(15(14)2)25-9-11-26(12-10-25)21(27)18-13-20(23-16(3)22-18)24-17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,22,23,24)
InChIKeyJVFFUQRDTSOZMS-UHFFFAOYSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365384
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121
azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 109360829) is [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1nc(NC2CC2)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is JVFFUQRDTSOZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-5-4-6-19(15(14)2)25-9-11-26(12-10-25)21(27)18-13-20(23-16(3)22-18)24-17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,22,23,24).
What are the key properties of [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109360829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).