N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine

C24H29N5 — CID 112923459

IUPACN-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nc(C)cc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C24H29N5/c1-4-29(21-10-6-5-7-11-21)24-25-20(3)18-23(26-24)28-15-13-27(14-16-28)22-12-8-9-19(2)17-22/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyJJZKOVZRQULJRT-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.58
Rot. Bonds5

About N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine

N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine (PubChem CID 112923459) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
PubChem CID112923459
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nc(C)cc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C24H29N5/c1-4-29(21-10-6-5-7-11-21)24-25-20(3)18-23(26-24)28-15-13-27(14-16-28)22-12-8-9-19(2)17-22/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyJJZKOVZRQULJRT-UHFFFAOYSA-N
XLogP4.58
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
4-[2-(N-benzylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914606
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
CID 112913848
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
CID 141329163
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
CID 112874796

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine (CID 112923459) is N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine is CCN(c1ccccc1)c1nc(C)cc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is JJZKOVZRQULJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-4-29(21-10-6-5-7-11-21)24-25-20(3)18-23(26-24)28-15-13-27(14-16-28)22-12-8-9-19(2)17-22/h5-12,17-18H,4,13-16H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine?
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112923459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).