N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine

C12H17N5O — CID 39801890

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCc1cc(CNc2nc(C)cc(C)n2)[nH]n1
InChIInChI=1S/C12H17N5O/c1-8-4-9(2)15-12(14-8)13-6-10-5-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyXNTZYOSSDIRACL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.58
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 39801890) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID39801890
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCc1cc(CNc2nc(C)cc(C)n2)[nH]n1
InChIInChI=1S/C12H17N5O/c1-8-4-9(2)15-12(14-8)13-6-10-5-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyXNTZYOSSDIRACL-UHFFFAOYSA-N
XLogP1.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine (CID 39801890) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine is COCc1cc(CNc2nc(C)cc(C)n2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is XNTZYOSSDIRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-4-9(2)15-12(14-8)13-6-10-5-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 39801890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).