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

C15H22N6O — CID 24989638

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(N)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H22N6O/c1-10-7-11(2)21(19-10)15-17-13(16)8-14(18-15)20-6-4-5-12(20)9-22-3/h7-8,12H,4-6,9H2,1-3H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyJYIMVDSGZBYVOH-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 24989638) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID24989638
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(N)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H22N6O/c1-10-7-11(2)21(19-10)15-17-13(16)8-14(18-15)20-6-4-5-12(20)9-22-3/h7-8,12H,4-6,9H2,1-3H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyJYIMVDSGZBYVOH-GFCCVEGCSA-N
XLogP1.48
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 24989638) is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is COC[C@H]1CCCN1c1cc(N)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is JYIMVDSGZBYVOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-7-11(2)21(19-10)15-17-13(16)8-14(18-15)20-6-4-5-12(20)9-22-3/h7-8,12H,4-6,9H2,1-3H3,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyrimidin-4-amine is sourced from PubChem (CID 24989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).