4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol

C12H20ClN3O — CID 106842928

IUPAC4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NCCCCO)n1
InChIInChI=1S/C12H20ClN3O/c1-3-6-10-15-11(13)9(2)12(16-10)14-7-4-5-8-17/h17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyAVQDHUDJGFKDML-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.58
Rot. Bonds7

About 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol

4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106842928) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106842928
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NCCCCO)n1
InChIInChI=1S/C12H20ClN3O/c1-3-6-10-15-11(13)9(2)12(16-10)14-7-4-5-8-17/h17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyAVQDHUDJGFKDML-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(6-chloro-5-methyl-2-propylpyrimidin-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

6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80978749
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol (CID 106842928) is 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol is CCCc1nc(Cl)c(C)c(NCCCCO)n1.
What is the InChIKey of 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is AVQDHUDJGFKDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-6-10-15-11(13)9(2)12(16-10)14-7-4-5-8-17/h17H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol?
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).