6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine

C16H21N5S — CID 99968435

IUPAC6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C16H21N5S/c1-20-7-9-21(10-8-20)16-11-15(17-12-18-16)19-13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyOGALVFDUZVOEPQ-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.69
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 99968435) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID99968435
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C16H21N5S/c1-20-7-9-21(10-8-20)16-11-15(17-12-18-16)19-13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyOGALVFDUZVOEPQ-UHFFFAOYSA-N
XLogP2.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
4-[6-(2-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858291
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine (CID 99968435) is 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine is CSc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is OGALVFDUZVOEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-20-7-9-21(10-8-20)16-11-15(17-12-18-16)19-13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 315.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 99968435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).