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

C15H26ClN3 — CID 82460778

IUPAC2-chloro-N-octyl-6-propylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(CCC)nc(Cl)n1
InChIInChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-17-14-12-13(10-4-2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyUEHLIMDQGYIQMZ-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.85
Rot. Bonds10

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

2-chloro-N-octyl-6-propylpyrimidin-4-amine (PubChem CID 82460778) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-chloro-N-octyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-octyl-6-propylpyrimidin-4-amine
PubChem CID82460778
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name2-chloro-N-octyl-6-propylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(CCC)nc(Cl)n1
InChIInChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-17-14-12-13(10-4-2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyUEHLIMDQGYIQMZ-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.85
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-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
CID 82460808
4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
CID 58693152
2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
CID 82460824
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-octyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-octyl-6-propylpyrimidin-4-amine (CID 82460778) is 2-chloro-N-octyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-octyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-octyl-6-propylpyrimidin-4-amine is CCCCCCCCNc1cc(CCC)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-octyl-6-propylpyrimidin-4-amine?
The InChIKey is UEHLIMDQGYIQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-3-5-6-7-8-9-11-17-14-12-13(10-4-2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-N-octyl-6-propylpyrimidin-4-amine?
2-chloro-N-octyl-6-propylpyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-octyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82460778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).