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

C10H17ClN4O2 — CID 106248775

IUPAC4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1ncc(Cl)c(NCCC(O)COC)n1
InChIInChI=1S/C10H17ClN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyZQTHZQFWHIYENL-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.98
Rot. Bonds7

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

4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106248775) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
PubChem CID106248775
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1ncc(Cl)c(NCCC(O)COC)n1
InChIInChI=1S/C10H17ClN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyZQTHZQFWHIYENL-UHFFFAOYSA-N
XLogP0.98
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-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

4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (CID 106248775) is 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is CNc1ncc(Cl)c(NCCC(O)COC)n1.
What is the InChIKey of 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is ZQTHZQFWHIYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 260.72 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).