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

C11H16ClN3O — CID 106842916

IUPAC4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
SMILESOCCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c12-9-7-10(13-5-1-2-6-16)15-11(14-9)8-3-4-8/h7-8,16H,1-6H2,(H,13,14,15)
InChIKeyMRRVTKJLEUJMHX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.19
Rot. Bonds6

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

4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106842916) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106842916
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
SMILESOCCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c12-9-7-10(13-5-1-2-6-16)15-11(14-9)8-3-4-8/h7-8,16H,1-6H2,(H,13,14,15)
InChIKeyMRRVTKJLEUJMHX-UHFFFAOYSA-N
XLogP2.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.19
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

3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
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
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
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
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

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol (CID 106842916) is 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol is OCCCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is MRRVTKJLEUJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-9-7-10(13-5-1-2-6-16)15-11(14-9)8-3-4-8/h7-8,16H,1-6H2,(H,13,14,15).
What are the key properties of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol?
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).