1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one

C19H25N5OS — CID 118765034

IUPAC1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(SC(C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1
InChIInChI=1S/C19H25N5OS/c1-13-4-6-16(7-5-13)26-15(3)18(25)24-10-8-23(9-11-24)17-12-14(2)21-19(20)22-17/h4-7,12,15H,8-11H2,1-3H3,(H2,20,21,22)
InChIKeyYUWZMMZGLGCTGK-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.51
Rot. Bonds4

About 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one

1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one (PubChem CID 118765034) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
PubChem CID118765034
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(SC(C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1
InChIInChI=1S/C19H25N5OS/c1-13-4-6-16(7-5-13)26-15(3)18(25)24-10-8-23(9-11-24)17-12-14(2)21-19(20)22-17/h4-7,12,15H,8-11H2,1-3H3,(H2,20,21,22)
InChIKeyYUWZMMZGLGCTGK-UHFFFAOYSA-N
XLogP2.51
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one with MolForge

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Related Compounds

(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 125163629
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692
1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 848339
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
(2R)-2-(4-methylphenyl)sulfanyl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 125156991
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 55853589
ethyl 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazine-1-carboxylate
CID 132899265
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
2-(4-methylphenyl)sulfanyl-1-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 131929591
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 119072061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one (CID 118765034) is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one is Cc1ccc(SC(C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1.
What is the InChIKey of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The InChIKey is YUWZMMZGLGCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-13-4-6-16(7-5-13)26-15(3)18(25)24-10-8-23(9-11-24)17-12-14(2)21-19(20)22-17/h4-7,12,15H,8-11H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one has a molecular weight of 371.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 118765034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).