2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine

C19H23FN8O — CID 74223522

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(Nc2cnccn2)c1F
InChIInChI=1S/C19H23FN8O/c1-12-9-13(2)28(26-12)19-24-17(23-15-10-21-6-7-22-15)16(20)18(25-19)27-8-4-5-14(27)11-29-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,22,23,24,25)/t14-/m1/s1
InChIKeyPVSTXYBNMBKNLL-CQSZACIVSA-N
MW398.45 g/mol
LogP2.57
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 74223522) has the molecular formula C19H23FN8O and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
PubChem CID74223522
Molecular FormulaC19H23FN8O
Molecular Weight398.45 g/mol
Exact Mass398.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(Nc2cnccn2)c1F
InChIInChI=1S/C19H23FN8O/c1-12-9-13(2)28(26-12)19-24-17(23-15-10-21-6-7-22-15)16(20)18(25-19)27-8-4-5-14(27)11-29-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,22,23,24,25)/t14-/m1/s1
InChIKeyPVSTXYBNMBKNLL-CQSZACIVSA-N
XLogP2.57
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine (CID 74223522) is 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine is COC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(Nc2cnccn2)c1F.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is PVSTXYBNMBKNLL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN8O/c1-12-9-13(2)28(26-12)19-24-17(23-15-10-21-6-7-22-15)16(20)18(25-19)27-8-4-5-14(27)11-29-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,22,23,24,25)/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 398.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 74223522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).