N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C18H22N4O2S — CID 136664758

IUPACN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-9-15(25-10(2)19-9)8-17(24)20-13-5-12(6-13)14-7-16(23)22-18(21-14)11-3-4-11/h7,11-13H,3-6,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBCWRYHVQIOSIKI-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.33
Rot. Bonds5

About N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 136664758) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID136664758
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-9-15(25-10(2)19-9)8-17(24)20-13-5-12(6-13)14-7-16(23)22-18(21-14)11-3-4-11/h7,11-13H,3-6,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBCWRYHVQIOSIKI-UHFFFAOYSA-N
XLogP2.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 136664758) is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)s1.
What is the InChIKey of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is BCWRYHVQIOSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-9-15(25-10(2)19-9)8-17(24)20-13-5-12(6-13)14-7-16(23)22-18(21-14)11-3-4-11/h7,11-13H,3-6,8H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 136664758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).