N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

C17H24N6O2 — CID 24812771

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1
InChIKeyFGADYIBOWLXZLA-CQSZACIVSA-N
MW344.42 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (PubChem CID 24812771) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
PubChem CID24812771
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1
InChIKeyFGADYIBOWLXZLA-CQSZACIVSA-N
XLogP1.85
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (CID 24812771) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The InChIKey is FGADYIBOWLXZLA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24812771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).