4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine

C14H19N5S — CID 59777251

IUPAC4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(Cc3ccsc3)nc(N)n2)CC1
InChIInChI=1S/C14H19N5S/c1-18-3-5-19(6-4-18)13-9-12(16-14(15)17-13)8-11-2-7-20-10-11/h2,7,9-10H,3-6,8H2,1H3,(H2,15,16,17)
InChIKeyIGLUXPZYJKPYQP-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.46
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine (PubChem CID 59777251) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
PubChem CID59777251
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(Cc3ccsc3)nc(N)n2)CC1
InChIInChI=1S/C14H19N5S/c1-18-3-5-19(6-4-18)13-9-12(16-14(15)17-13)8-11-2-7-20-10-11/h2,7,9-10H,3-6,8H2,1H3,(H2,15,16,17)
InChIKeyIGLUXPZYJKPYQP-UHFFFAOYSA-N
XLogP1.46
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine (CID 59777251) is 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine is CN1CCN(c2cc(Cc3ccsc3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is IGLUXPZYJKPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-18-3-5-19(6-4-18)13-9-12(16-14(15)17-13)8-11-2-7-20-10-11/h2,7,9-10H,3-6,8H2,1H3,(H2,15,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 289.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 59777251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).