5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

C14H20N6S — CID 139474272

IUPAC5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H20N6S/c1-10-9-15-14(21-10)18-12-8-13(17-11(2)16-12)20-6-4-19(3)5-7-20/h8-9H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyLRXMNTRLESWSJF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 139474272) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID139474272
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H20N6S/c1-10-9-15-14(21-10)18-12-8-13(17-11(2)16-12)20-6-4-19(3)5-7-20/h8-9H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyLRXMNTRLESWSJF-UHFFFAOYSA-N
XLogP2.05
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 139474272) is 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LRXMNTRLESWSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-10-9-15-14(21-10)18-12-8-13(17-11(2)16-12)20-6-4-19(3)5-7-20/h8-9H,4-7H2,1-3H3,(H,15,16,17,18).
What are the key properties of 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139474272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).