N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C18H27N3O3S — CID 100906669

IUPACN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)CCn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C18H27N3O3S/c1-6-10(2)14(9-22)20-15(23)7-8-21-13(5)19-17-16(18(21)24)11(3)12(4)25-17/h10,14,22H,6-9H2,1-5H3,(H,20,23)/t10-,14+/m1/s1
InChIKeyKZDYTONWOMNTCX-YGRLFVJLSA-N
MW365.50 g/mol
LogP2.30
Rot. Bonds7

About N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 100906669) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID100906669
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)CCn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C18H27N3O3S/c1-6-10(2)14(9-22)20-15(23)7-8-21-13(5)19-17-16(18(21)24)11(3)12(4)25-17/h10,14,22H,6-9H2,1-5H3,(H,20,23)/t10-,14+/m1/s1
InChIKeyKZDYTONWOMNTCX-YGRLFVJLSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
CID 91821491
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410676
N-[(2R)-butan-2-yl]-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2491812
N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410608
N-[(2S)-butan-2-yl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2589498
N-(2-methyl-6-propan-2-ylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410218
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28528656
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-heptan-2-ylacetamide
CID 78682808
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896745
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2492013
N-(4-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159271

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 100906669) is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CC[C@@H](C)[C@H](CO)NC(=O)CCn1c(C)nc2sc(C)c(C)c2c1=O.
What is the InChIKey of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is KZDYTONWOMNTCX-YGRLFVJLSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-6-10(2)14(9-22)20-15(23)7-8-21-13(5)19-17-16(18(21)24)11(3)12(4)25-17/h10,14,22H,6-9H2,1-5H3,(H,20,23)/t10-,14+/m1/s1.
What are the key properties of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 100906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).