2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol

C12H22N4O — CID 80658221

IUPAC2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C12H22N4O/c1-4-5-16(6-7-17)9-12-14-10(2)8-11(13-3)15-12/h8,17H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyWNNOFSCMQRUEIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds7

About 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol

2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol (PubChem CID 80658221) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
PubChem CID80658221
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C12H22N4O/c1-4-5-16(6-7-17)9-12-14-10(2)8-11(13-3)15-12/h8,17H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyWNNOFSCMQRUEIH-UHFFFAOYSA-N
XLogP1.03
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]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

N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
CID 80657069
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
CID 80664963
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657938
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
CID 80658050
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657553
N,N-dimethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657741

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol (CID 80658221) is 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol is CCCN(CCO)Cc1nc(C)cc(NC)n1.
What is the InChIKey of 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol?
The InChIKey is WNNOFSCMQRUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-16(6-7-17)9-12-14-10(2)8-11(13-3)15-12/h8,17H,4-7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol?
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol is sourced from PubChem (CID 80658221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).