4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol

C9H14ClN3O — CID 106842912

IUPAC4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(Cl)ncnc1NCCCCO
InChIInChI=1S/C9H14ClN3O/c1-7-8(10)12-6-13-9(7)11-4-2-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyZXGXYFRXMXNNBV-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.62
Rot. Bonds5

About 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol

4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106842912) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106842912
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(Cl)ncnc1NCCCCO
InChIInChI=1S/C9H14ClN3O/c1-7-8(10)12-6-13-9(7)11-4-2-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyZXGXYFRXMXNNBV-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.62
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

N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350691
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 65313790

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol (CID 106842912) is 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol is Cc1c(Cl)ncnc1NCCCCO.
What is the InChIKey of 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is ZXGXYFRXMXNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7-8(10)12-6-13-9(7)11-4-2-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).