1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol

C11H19N3O2 — CID 112637981

IUPAC1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCOc1ccnc(NCC(C)(O)CC)n1
InChIInChI=1S/C11H19N3O2/c1-4-11(3,15)8-13-10-12-7-6-9(14-10)16-5-2/h6-7,15H,4-5,8H2,1-3H3,(H,12,13,14)
InChIKeyMRVIAAIKKKRZMX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds6

About 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol

1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 112637981) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
PubChem CID112637981
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCOc1ccnc(NCC(C)(O)CC)n1
InChIInChI=1S/C11H19N3O2/c1-4-11(3,15)8-13-10-12-7-6-9(14-10)16-5-2/h6-7,15H,4-5,8H2,1-3H3,(H,12,13,14)
InChIKeyMRVIAAIKKKRZMX-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-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

3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
CID 112638339
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol (CID 112637981) is 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol is CCOc1ccnc(NCC(C)(O)CC)n1.
What is the InChIKey of 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is MRVIAAIKKKRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-11(3,15)8-13-10-12-7-6-9(14-10)16-5-2/h6-7,15H,4-5,8H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol?
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 112637981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).