2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol

C8H12ClN3O — CID 60726838

IUPAC2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-2-6(5-13)11-7-3-4-10-8(9)12-7/h3-4,6,13H,2,5H2,1H3,(H,10,11,12)
InChIKeyLCOOOHJVCOYWFW-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol

2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol (PubChem CID 60726838) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
PubChem CID60726838
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-2-6(5-13)11-7-3-4-10-8(9)12-7/h3-4,6,13H,2,5H2,1H3,(H,10,11,12)
InChIKeyLCOOOHJVCOYWFW-UHFFFAOYSA-N
XLogP1.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloropyrimidin-4-yl)amino]butan-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

(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 133434731
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[(2,6-dichloropyrimidin-4-yl)amino]propane-1,3-diol
CID 118686089
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol (CID 60726838) is 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is LCOOOHJVCOYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-6(5-13)11-7-3-4-10-8(9)12-7/h3-4,6,13H,2,5H2,1H3,(H,10,11,12).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol?
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 60726838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).