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

C18H27N5O2 — CID 119073075

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOC2)cc(N(C)CCc2c(C)n[nH]c2C)n1
InChIInChI=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)
InChIKeyBIXVBBIETNLFLU-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.15
Rot. Bonds7

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 NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID119073075
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOC2)cc(N(C)CCc2c(C)n[nH]c2C)n1
InChIInChI=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)
InChIKeyBIXVBBIETNLFLU-UHFFFAOYSA-N
XLogP2.15
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).