(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol

C18H20N4OS — CID 71188639

IUPAC(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCc1ccc(Nc2ncc(-c3cccs3)c(N[C@H](C)CO)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-7-14(8-6-12)21-18-19-10-15(16-4-3-9-24-16)17(22-18)20-13(2)11-23/h3-10,13,23H,11H2,1-2H3,(H2,19,20,21,22)/t13-/m1/s1
InChIKeyXDJFQGLCJAMYBH-CYBMUJFWSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds6

About (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol

(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 71188639) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID71188639
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCc1ccc(Nc2ncc(-c3cccs3)c(N[C@H](C)CO)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-7-14(8-6-12)21-18-19-10-15(16-4-3-9-24-16)17(22-18)20-13(2)11-23/h3-10,13,23H,11H2,1-2H3,(H2,19,20,21,22)/t13-/m1/s1
InChIKeyXDJFQGLCJAMYBH-CYBMUJFWSA-N
XLogP4.05
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

1-[[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-methylidene-oxo-λ6-sulfanyl]-3-(4-methylphenyl)urea
CID 91460178
1-benzyl-3-[[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]urea
CID 58985644
N-[[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-methylidene-oxo-λ6-sulfanyl]morpholine-4-carboxamide
CID 91216666
CID 89325243
CID 89325243
formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine
CID 143490611
ethyl N-[[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(4-methylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-methylidene-oxo-λ6-sulfanyl]carbamate
CID 91475129
(2R)-2-[[5-(4-methoxyphenyl)-2-[4-(methylsulfonimidoyl)anilino]pyrimidin-4-yl]amino]propan-1-ol
CID 58985789
(2R)-2-[[2-[4-(ethylsulfonimidoyl)anilino]-5-(4-methoxyphenyl)pyrimidin-4-yl]amino]propan-1-ol
CID 89008655
(2R)-2-[[2-[4-(methylsulfonimidoyl)anilino]-5-[4-(phenylsulfanylamino)phenyl]pyrimidin-4-yl]amino]propan-1-ol
CID 143608062
2-[[5-bromo-2-(4-methylsulfanylanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 67156567
(2R)-2-[[5-(4-ethoxyphenyl)-2-[4-(methylsulfinimidoyl)anilino]pyrimidin-4-yl]amino]propan-1-ol
CID 143490576
2,3-dichloro-N-[4-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-2-[4-(methylsulfonimidoyl)anilino]pyrimidin-5-yl]phenyl]benzenesulfonamide
CID 24995585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol (CID 71188639) is (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol is Cc1ccc(Nc2ncc(-c3cccs3)c(N[C@H](C)CO)n2)cc1.
What is the InChIKey of (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is XDJFQGLCJAMYBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-5-7-14(8-6-12)21-18-19-10-15(16-4-3-9-24-16)17(22-18)20-13(2)11-23/h3-10,13,23H,11H2,1-2H3,(H2,19,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol?
(2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 340.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-methylanilino)-5-thiophen-2-ylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 71188639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).