2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol

C16H28N4O — CID 91786370

IUPAC2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H28N4O/c1-4-16(5-2,10-21)9-20(3)15-8-14(18-11-19-15)12-6-13(17)7-12/h8,11-13,21H,4-7,9-10,17H2,1-3H3
InChIKeyWGKLOERPQNJSBF-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.92
Rot. Bonds7

About 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol

2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 91786370) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID91786370
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H28N4O/c1-4-16(5-2,10-21)9-20(3)15-8-14(18-11-19-15)12-6-13(17)7-12/h8,11-13,21H,4-7,9-10,17H2,1-3H3
InChIKeyWGKLOERPQNJSBF-UHFFFAOYSA-N
XLogP1.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
CID 91771811
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol (CID 91786370) is 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN(C)c1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is WGKLOERPQNJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-16(5-2,10-21)9-20(3)15-8-14(18-11-19-15)12-6-13(17)7-12/h8,11-13,21H,4-7,9-10,17H2,1-3H3.
What are the key properties of 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol?
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 91786370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).