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

C19H25N5OS — CID 125163629

IUPAC(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(S[C@H](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)/t15-/m1/s1
InChIKeyYUWZMMZGLGCTGK-OAHLLOKOSA-N
MW371.51 g/mol
LogP2.51
Rot. Bonds4

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

(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one (PubChem CID 125163629) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
PubChem CID125163629
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(S[C@H](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)/t15-/m1/s1
InChIKeyYUWZMMZGLGCTGK-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one (CID 125163629) is (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one is Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1.
What is the InChIKey of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
The InChIKey is YUWZMMZGLGCTGK-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one?
(2R)-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 (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 125163629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).