N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

C15H16N6O — CID 72888393

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOCc1cc(CNc2nccc(-c3ccccn3)n2)[nH]n1
InChIInChI=1S/C15H16N6O/c1-22-10-12-8-11(20-21-12)9-18-15-17-7-5-14(19-15)13-4-2-3-6-16-13/h2-8H,9-10H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYORJNECASGPODN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.02
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 72888393) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID72888393
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOCc1cc(CNc2nccc(-c3ccccn3)n2)[nH]n1
InChIInChI=1S/C15H16N6O/c1-22-10-12-8-11(20-21-12)9-18-15-17-7-5-14(19-15)13-4-2-3-6-16-13/h2-8H,9-10H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYORJNECASGPODN-UHFFFAOYSA-N
XLogP2.02
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 72888393) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is COCc1cc(CNc2nccc(-c3ccccn3)n2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is YORJNECASGPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-22-10-12-8-11(20-21-12)9-18-15-17-7-5-14(19-15)13-4-2-3-6-16-13/h2-8H,9-10H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 296.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 72888393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).