N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine

C18H27N5O2 — CID 119073075

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 119073075) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
• PubChem CID: 119073075
• Molecular Formula: C18H27N5O2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.22
• IUPAC Name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
• SMILES: COCc1nc(C2CCOC2)cc(N(C)CCc2c(C)n[nH]c2C)n1
• InChI: InChI=1S/C18H27N5O2/c1-12-15(13(2)22-21-12)5-7-23(3)18-9-16(14-6-8-25-10-14)19-17(20-18)11-24-4/h9,14H,5-8,10-11H2,1-4H3,(H,21,22)
• InChIKey: BIXVBBIETNLFLU-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 76.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?

The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (CID 119073075) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.

What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?

The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is COCc1nc(C2CCOC2)cc(N(C)CCc2c(C)n[nH]c2C)n1.

What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?

The InChIKey is BIXVBBIETNLFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-15(13(2)22-21-12)5-7-23(3)18-9-16(14-6-8-25-10-14)19-17(20-18)11-24-4/h9,14H,5-8,10-11H2,1-4H3,(H,21,22).

What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 119073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).