6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine

C13H22N4O — CID 113467592

IUPAC6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC(C)C2)nc(COC)n1
InChIInChI=1S/C13H22N4O/c1-4-14-11-7-12(15-10-5-9(2)6-10)17-13(16-11)8-18-3/h7,9-10H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGLIATTGCOCFHOE-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.27
Rot. Bonds6

About 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine

6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine (PubChem CID 113467592) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
PubChem CID113467592
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC(C)C2)nc(COC)n1
InChIInChI=1S/C13H22N4O/c1-4-14-11-7-12(15-10-5-9(2)6-10)17-13(16-11)8-18-3/h7,9-10H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGLIATTGCOCFHOE-UHFFFAOYSA-N
XLogP2.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065321
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674447
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114542162
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 102741196

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine (CID 113467592) is 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CC(C)C2)nc(COC)n1.
What is the InChIKey of 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine?
The InChIKey is GLIATTGCOCFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-11-7-12(15-10-5-9(2)6-10)17-13(16-11)8-18-3/h7,9-10H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113467592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).