4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine

C16H17N5S — CID 46830766

IUPAC4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1
InChIInChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21)
InChIKeyBFNPREZASZQRTJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.00
Rot. Bonds4

About 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine

4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine (PubChem CID 46830766) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine
PubChem CID46830766
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1
InChIInChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21)
InChIKeyBFNPREZASZQRTJ-UHFFFAOYSA-N
XLogP4.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine (CID 46830766) is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1.
What is the InChIKey of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine?
The InChIKey is BFNPREZASZQRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21).
What are the key properties of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine?
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine has a molecular weight of 311.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 46830766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).