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

C19H27N5 — CID 99968449

IUPAC2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-14(2)16-5-7-17(8-6-16)22-18-13-19(21-15(3)20-18)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3,(H,20,21,22)
InChIKeySGZJEPJHFPILCL-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.40
Rot. Bonds4

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

2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 99968449) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID99968449
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H27N5/c1-14(2)16-5-7-17(8-6-16)22-18-13-19(21-15(3)20-18)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3,(H,20,21,22)
InChIKeySGZJEPJHFPILCL-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

1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871239
2-methyl-6-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112869239
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
methyl 4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 99968498
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112870952
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535
3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
CID 112946039
2-methyl-6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112870800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 99968449) is 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1nc(Nc2ccc(C(C)C)cc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is SGZJEPJHFPILCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)16-5-7-17(8-6-16)22-18-13-19(21-15(3)20-18)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 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-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 2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 99968449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).