6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol

C13H22ClN3O — CID 107854050

IUPAC6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCCCCCCO
InChIInChI=1S/C13H22ClN3O/c1-10(2)11-12(14)16-9-17-13(11)15-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyKIRSMVXEVYWALL-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.22
Rot. Bonds8

About 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol

6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 107854050) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
PubChem CID107854050
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCCCCCCO
InChIInChI=1S/C13H22ClN3O/c1-10(2)11-12(14)16-9-17-13(11)15-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyKIRSMVXEVYWALL-UHFFFAOYSA-N
XLogP3.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.22
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-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730180
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203057
6-chloro-N-[3-(2-methylphenoxy)propyl]-5-propan-2-ylpyrimidin-4-amine
CID 13066830
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol (CID 107854050) is 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol is CC(C)c1c(Cl)ncnc1NCCCCCCO.
What is the InChIKey of 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is KIRSMVXEVYWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-10(2)11-12(14)16-9-17-13(11)15-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol?
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 107854050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).