2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol

C13H21N3O — CID 61147636

IUPAC2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-10(3)8-12(15-13)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3
InChIKeyIUDZEVFFRKXKIZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds5

About 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol

2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 61147636) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
PubChem CID61147636
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-10(3)8-12(15-13)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3
InChIKeyIUDZEVFFRKXKIZ-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol 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

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
CID 102868924
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961650
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 66183116
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 115868780
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
2-[cyclopropyl-(5-methyl-2-pyridinyl)amino]ethanol
CID 61146522
4-N-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961551

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol (CID 61147636) is 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol is Cc1cc(N(CCO)C2CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is IUDZEVFFRKXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-14-10(3)8-12(15-13)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 61147636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).