3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol

C10H14ClN3O — CID 80953184

IUPAC3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H14ClN3O/c11-8-6-9(12-4-1-5-15)14-10(13-8)7-2-3-7/h6-7,15H,1-5H2,(H,12,13,14)
InChIKeyMZUFYVWMPFJDDK-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.80
Rot. Bonds5

About 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol

3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80953184) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80953184
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H14ClN3O/c11-8-6-9(12-4-1-5-15)14-10(13-8)7-2-3-7/h6-7,15H,1-5H2,(H,12,13,14)
InChIKeyMZUFYVWMPFJDDK-UHFFFAOYSA-N
XLogP1.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 19034506

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol (CID 80953184) is 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol is OCCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is MZUFYVWMPFJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-8-6-9(12-4-1-5-15)14-10(13-8)7-2-3-7/h6-7,15H,1-5H2,(H,12,13,14).
What are the key properties of 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol?
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 227.69 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80953184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).