5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol

C11H18ClN3O — CID 82461024

IUPAC5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1nc(NCCCCCO)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-8-9(2)14-11(15-10(8)12)13-6-4-3-5-7-16/h16H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWTHNOWGFOSIBCG-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.32
Rot. Bonds6

About 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol

5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 82461024) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol
PubChem CID82461024
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1nc(NCCCCCO)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-8-9(2)14-11(15-10(8)12)13-6-4-3-5-7-16/h16H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWTHNOWGFOSIBCG-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.32
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

5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol (CID 82461024) is 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol is Cc1nc(NCCCCCO)nc(Cl)c1C.
What is the InChIKey of 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is WTHNOWGFOSIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8-9(2)14-11(15-10(8)12)13-6-4-3-5-7-16/h16H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol?
5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 82461024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).