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

C20H25N7O — CID 72945115

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H25N7O/c1-14-11-15(2)27(25-14)20-23-18(22-17-8-4-5-9-21-17)12-19(24-20)26-10-6-7-16(26)13-28-3/h4-5,8-9,11-12,16H,6-7,10,13H2,1-3H3,(H,21,22,23,24)/t16-/m1/s1
InChIKeyCPTFLTJFGWOVRS-MRXNPFEDSA-N
MW379.47 g/mol
LogP3.03
Rot. Bonds6

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

2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 72945115) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID72945115
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H25N7O/c1-14-11-15(2)27(25-14)20-23-18(22-17-8-4-5-9-21-17)12-19(24-20)26-10-6-7-16(26)13-28-3/h4-5,8-9,11-12,16H,6-7,10,13H2,1-3H3,(H,21,22,23,24)/t16-/m1/s1
InChIKeyCPTFLTJFGWOVRS-MRXNPFEDSA-N
XLogP3.03
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 72945115) is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is COC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is CPTFLTJFGWOVRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-11-15(2)27(25-14)20-23-18(22-17-8-4-5-9-21-17)12-19(24-20)26-10-6-7-16(26)13-28-3/h4-5,8-9,11-12,16H,6-7,10,13H2,1-3H3,(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 379.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).