N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

C16H22ClN7O — CID 91776623

IUPACN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCNc1cc(C2CC(NC(=O)Cn3nc(C)c(Cl)c3C)C2)nc(N)n1
InChIInChI=1S/C16H22ClN7O/c1-8-15(17)9(2)24(23-8)7-14(25)20-11-4-10(5-11)12-6-13(19-3)22-16(18)21-12/h6,10-11H,4-5,7H2,1-3H3,(H,20,25)(H3,18,19,21,22)
InChIKeyDTUNPUCFFJSPOO-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.63
Rot. Bonds5

About N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 91776623) has the molecular formula C16H22ClN7O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID91776623
Molecular FormulaC16H22ClN7O
Molecular Weight363.85 g/mol
Exact Mass363.16
IUPAC NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCNc1cc(C2CC(NC(=O)Cn3nc(C)c(Cl)c3C)C2)nc(N)n1
InChIInChI=1S/C16H22ClN7O/c1-8-15(17)9(2)24(23-8)7-14(25)20-11-4-10(5-11)12-6-13(19-3)22-16(18)21-12/h6,10-11H,4-5,7H2,1-3H3,(H,20,25)(H3,18,19,21,22)
InChIKeyDTUNPUCFFJSPOO-UHFFFAOYSA-N
XLogP1.63
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (CID 91776623) is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is CNc1cc(C2CC(NC(=O)Cn3nc(C)c(Cl)c3C)C2)nc(N)n1.
What is the InChIKey of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is DTUNPUCFFJSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN7O/c1-8-15(17)9(2)24(23-8)7-14(25)20-11-4-10(5-11)12-6-13(19-3)22-16(18)21-12/h6,10-11H,4-5,7H2,1-3H3,(H,20,25)(H3,18,19,21,22).
What are the key properties of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91776623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).