(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide

C20H21ClN4O3S — CID 86624248

IUPAC(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
SMILESCc1c(-c2cccc(NC(=O)[C@H](C)O)c2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O3S/c1-11-15-17(18(24-20(21)23-15)25-6-8-28-9-7-25)29-16(11)13-4-3-5-14(10-13)22-19(27)12(2)26/h3-5,10,12,26H,6-9H2,1-2H3,(H,22,27)/t12-/m0/s1
InChIKeyIRVPVDXQHPBIHY-LBPRGKRZSA-N
MW432.93 g/mol
LogP3.48
Rot. Bonds4

About (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide

(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide (PubChem CID 86624248) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
PubChem CID86624248
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
SMILESCc1c(-c2cccc(NC(=O)[C@H](C)O)c2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O3S/c1-11-15-17(18(24-20(21)23-15)25-6-8-28-9-7-25)29-16(11)13-4-3-5-14(10-13)22-19(27)12(2)26/h3-5,10,12,26H,6-9H2,1-2H3,(H,22,27)/t12-/m0/s1
InChIKeyIRVPVDXQHPBIHY-LBPRGKRZSA-N
XLogP3.48
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
CID 86624291
N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
CID 86630074
N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 87669032
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
CID 90831532
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
tert-butyl N-[4-[3-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutan-2-yl]carbamate
CID 131728570
N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234
[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 143694961
benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 162026956

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide (CID 86624248) is (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide is Cc1c(-c2cccc(NC(=O)[C@H](C)O)c2)sc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide?
The InChIKey is IRVPVDXQHPBIHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-11-15-17(18(24-20(21)23-15)25-6-8-28-9-7-25)29-16(11)13-4-3-5-14(10-13)22-19(27)12(2)26/h3-5,10,12,26H,6-9H2,1-2H3,(H,22,27)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide?
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide has a molecular weight of 432.93 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 86624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).