5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

C20H24N6S — CID 21101327

IUPAC5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(-c2c(N)nc(N3CCN(Cc4cccs4)CC3)nc2N)cc1
InChIInChI=1S/C20H24N6S/c1-14-4-6-15(7-5-14)17-18(21)23-20(24-19(17)22)26-10-8-25(9-11-26)13-16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H4,21,22,23,24)
InChIKeyPMNGWOKMKBLBLK-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.00
Rot. Bonds4

About 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine (PubChem CID 21101327) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
PubChem CID21101327
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(-c2c(N)nc(N3CCN(Cc4cccs4)CC3)nc2N)cc1
InChIInChI=1S/C20H24N6S/c1-14-4-6-15(7-5-14)17-18(21)23-20(24-19(17)22)26-10-8-25(9-11-26)13-16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H4,21,22,23,24)
InChIKeyPMNGWOKMKBLBLK-UHFFFAOYSA-N
XLogP3.00
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 17443532
2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline
CID 77085343
2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
1-[4-methyl-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-5-yl]ethanone
CID 135117082
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627017
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
4-pyrimidin-2-yl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119120543
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine (CID 21101327) is 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine is Cc1ccc(-c2c(N)nc(N3CCN(Cc4cccs4)CC3)nc2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The InChIKey is PMNGWOKMKBLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-14-4-6-15(7-5-14)17-18(21)23-20(24-19(17)22)26-10-8-25(9-11-26)13-16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H4,21,22,23,24).
What are the key properties of 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 380.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 21101327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).