3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

C10H17BrN4O2 — CID 106163039

IUPAC3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCNc1ncc(Br)c(NC(CCO)COC)n1
InChIInChI=1S/C10H17BrN4O2/c1-12-10-13-5-8(11)9(15-10)14-7(3-4-16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFMWXQFQZFZSQO-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.09
Rot. Bonds7

About 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 106163039) has the molecular formula C10H17BrN4O2 and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID106163039
Molecular FormulaC10H17BrN4O2
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC Name3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCNc1ncc(Br)c(NC(CCO)COC)n1
InChIInChI=1S/C10H17BrN4O2/c1-12-10-13-5-8(11)9(15-10)14-7(3-4-16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFMWXQFQZFZSQO-UHFFFAOYSA-N
XLogP1.09
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-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

5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152265
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
CID 106163035
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
1-[(4-hydroxy-1-methoxybutan-2-yl)amino]isoquinolin-7-ol
CID 106157913

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 106163039) is 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CNc1ncc(Br)c(NC(CCO)COC)n1.
What is the InChIKey of 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is WFMWXQFQZFZSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2/c1-12-10-13-5-8(11)9(15-10)14-7(3-4-16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 305.18 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).