3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine

C16H25N5O — CID 77087542

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine
SMILESCOCc1ncc(CN(C)CCCn2nc(C)cc2C)cn1
InChIInChI=1S/C16H25N5O/c1-13-8-14(2)21(19-13)7-5-6-20(3)11-15-9-17-16(12-22-4)18-10-15/h8-10H,5-7,11-12H2,1-4H3
InChIKeyJYYCZJHQYRZXNT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds8

About 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine (PubChem CID 77087542) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine
PubChem CID77087542
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine
SMILESCOCc1ncc(CN(C)CCCn2nc(C)cc2C)cn1
InChIInChI=1S/C16H25N5O/c1-13-8-14(2)21(19-13)7-5-6-20(3)11-15-9-17-16(12-22-4)18-10-15/h8-10H,5-7,11-12H2,1-4H3
InChIKeyJYYCZJHQYRZXNT-UHFFFAOYSA-N
XLogP1.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine (CID 77087542) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine is COCc1ncc(CN(C)CCCn2nc(C)cc2C)cn1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is JYYCZJHQYRZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-8-14(2)21(19-13)7-5-6-20(3)11-15-9-17-16(12-22-4)18-10-15/h8-10H,5-7,11-12H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 77087542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).