6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine

C19H27N5 — CID 112914037

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-14(2)16-7-5-6-8-17(16)21-18-13-15(3)20-19(22-18)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyZDPJSBGILKCQJP-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.40
Rot. Bonds4

About 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine

6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112914037) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112914037
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-14(2)16-7-5-6-8-17(16)21-18-13-15(3)20-19(22-18)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyZDPJSBGILKCQJP-UHFFFAOYSA-N
XLogP3.40
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914114
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112914123
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112874738
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 112914037) is 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccccc2C(C)C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is ZDPJSBGILKCQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)16-7-5-6-8-17(16)21-18-13-15(3)20-19(22-18)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3,(H,20,21,22).
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112914037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).