6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine

C21H25N5S — CID 67558468

IUPAC6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(Cc4ccsc4)CC3)n2)cc1
InChIInChI=1S/C21H25N5S/c1-16-3-5-19(6-4-16)23-20-13-17(2)22-21(24-20)26-10-8-25(9-11-26)14-18-7-12-27-15-18/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,23,24)
InChIKeyYXUVGZGGUWXWIA-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.22
Rot. Bonds5

About 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine

6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 67558468) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID67558468
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(Cc4ccsc4)CC3)n2)cc1
InChIInChI=1S/C21H25N5S/c1-16-3-5-19(6-4-16)23-20-13-17(2)22-21(24-20)26-10-8-25(9-11-26)14-18-7-12-27-15-18/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,23,24)
InChIKeyYXUVGZGGUWXWIA-UHFFFAOYSA-N
XLogP4.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
(E)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122346340
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346504
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
1-[4-[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915036
1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122346416

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine (CID 67558468) is 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(N3CCN(Cc4ccsc4)CC3)n2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is YXUVGZGGUWXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-16-3-5-19(6-4-16)23-20-13-17(2)22-21(24-20)26-10-8-25(9-11-26)14-18-7-12-27-15-18/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,23,24).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine?
6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 379.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 67558468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).