6-chloro-5-octyl-2-propylpyrimidin-4-amine

C15H26ClN3 — CID 154161263

IUPAC6-chloro-5-octyl-2-propylpyrimidin-4-amine
SMILESCCCCCCCCc1c(N)nc(CCC)nc1Cl
InChIInChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-12-14(16)18-13(10-4-2)19-15(12)17/h3-11H2,1-2H3,(H2,17,18,19)
InChIKeyQIIIMEACNZFBCS-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.57
Rot. Bonds9

About 6-chloro-5-octyl-2-propylpyrimidin-4-amine

6-chloro-5-octyl-2-propylpyrimidin-4-amine (PubChem CID 154161263) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 6-chloro-5-octyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-octyl-2-propylpyrimidin-4-amine
PubChem CID154161263
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name6-chloro-5-octyl-2-propylpyrimidin-4-amine
SMILESCCCCCCCCc1c(N)nc(CCC)nc1Cl
InChIInChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-12-14(16)18-13(10-4-2)19-15(12)17/h3-11H2,1-2H3,(H2,17,18,19)
InChIKeyQIIIMEACNZFBCS-UHFFFAOYSA-N
XLogP4.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4,6-dichloro-5-propylpyrimidine
CID 79404356
6-(2,4-dichlorophenoxy)-5-octyl-2-propylpyrimidin-4-amine
CID 154112431
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
4,5,6-tripentyl-2-propylpyrimidine
CID 90692592
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine
CID 14011029
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
4-butyl-2,3,5,6-tetrachloropyridine
CID 71357980
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-octyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-octyl-2-propylpyrimidin-4-amine (CID 154161263) is 6-chloro-5-octyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-octyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-octyl-2-propylpyrimidin-4-amine is CCCCCCCCc1c(N)nc(CCC)nc1Cl.
What is the InChIKey of 6-chloro-5-octyl-2-propylpyrimidin-4-amine?
The InChIKey is QIIIMEACNZFBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-12-14(16)18-13(10-4-2)19-15(12)17/h3-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-chloro-5-octyl-2-propylpyrimidin-4-amine?
6-chloro-5-octyl-2-propylpyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-octyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 154161263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).