2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C12H22N4O2 — CID 146233506

IUPAC2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)Nc1cc(N(CCO)CCO)ncn1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)15-10-8-11(14-9-13-10)16(4-6-17)5-7-18/h8-9,17-18H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyZKHDQUGEVIOWMJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.48
Rot. Bonds6

About 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 146233506) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID146233506
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)Nc1cc(N(CCO)CCO)ncn1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)15-10-8-11(14-9-13-10)16(4-6-17)5-7-18/h8-9,17-18H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyZKHDQUGEVIOWMJ-UHFFFAOYSA-N
XLogP0.48
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)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

4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 126848676
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
CID 61225312
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
6-N-methyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871767

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 146233506) is 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is CC(C)(C)Nc1cc(N(CCO)CCO)ncn1.
What is the InChIKey of 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZKHDQUGEVIOWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)15-10-8-11(14-9-13-10)16(4-6-17)5-7-18/h8-9,17-18H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 254.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 146233506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).