5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C13H18N6O — CID 175880712

IUPAC5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1c(Nc2cc(C)[nH]n2)ncnc1N1CCCC1
InChIInChI=1S/C13H18N6O/c1-9-7-10(18-17-9)16-12-11(20-2)13(15-8-14-12)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOOUWUFYGNFPEDP-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.86
Rot. Bonds4

About 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine

5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 175880712) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID175880712
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1c(Nc2cc(C)[nH]n2)ncnc1N1CCCC1
InChIInChI=1S/C13H18N6O/c1-9-7-10(18-17-9)16-12-11(20-2)13(15-8-14-12)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOOUWUFYGNFPEDP-UHFFFAOYSA-N
XLogP1.86
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 175880712) is 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine is COc1c(Nc2cc(C)[nH]n2)ncnc1N1CCCC1.
What is the InChIKey of 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is OOUWUFYGNFPEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-7-10(18-17-9)16-12-11(20-2)13(15-8-14-12)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 175880712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).