1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

C16H22N6OS — CID 70761738

IUPAC1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3scnc3C)CC2)nc(N)n1
InChIInChI=1S/C16H22N6OS/c1-11-9-14(20-16(17)19-11)21-5-7-22(8-6-21)15(23)4-3-13-12(2)18-10-24-13/h9-10H,3-8H2,1-2H3,(H2,17,19,20)
InChIKeyDHYLSKNPBVSJKY-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.41
Rot. Bonds4

About 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 70761738) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID70761738
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3scnc3C)CC2)nc(N)n1
InChIInChI=1S/C16H22N6OS/c1-11-9-14(20-16(17)19-11)21-5-7-22(8-6-21)15(23)4-3-13-12(2)18-10-24-13/h9-10H,3-8H2,1-2H3,(H2,17,19,20)
InChIKeyDHYLSKNPBVSJKY-UHFFFAOYSA-N
XLogP1.41
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (CID 70761738) is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is Cc1cc(N2CCN(C(=O)CCc3scnc3C)CC2)nc(N)n1.
What is the InChIKey of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is DHYLSKNPBVSJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-9-14(20-16(17)19-11)21-5-7-22(8-6-21)15(23)4-3-13-12(2)18-10-24-13/h9-10H,3-8H2,1-2H3,(H2,17,19,20).
What are the key properties of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 346.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 70761738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).