N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine

C19H25N5 — CID 112882393

IUPACN-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(NC4CC4)n3)CC2)c1C
InChIInChI=1S/C19H25N5/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)18-8-9-20-19(22-18)21-16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,20,21,22)
InChIKeyRZOYQKUCEKUOIQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds4

About N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine

N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112882393) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112882393
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(NC4CC4)n3)CC2)c1C
InChIInChI=1S/C19H25N5/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)18-8-9-20-19(22-18)21-16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,20,21,22)
InChIKeyRZOYQKUCEKUOIQ-UHFFFAOYSA-N
XLogP2.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898325
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898327
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886226
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898456
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112882393) is N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(N2CCN(c3ccnc(NC4CC4)n3)CC2)c1C.
What is the InChIKey of N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is RZOYQKUCEKUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)18-8-9-20-19(22-18)21-16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 323.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112882393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).