N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine

C13H22ClN3O — CID 63729398

IUPACN-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCCOCCNc1ncnc(Cl)c1CCC
InChIInChI=1S/C13H22ClN3O/c1-3-5-8-18-9-7-15-13-11(6-4-2)12(14)16-10-17-13/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIZGHVNWOPXFXEU-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.31
Rot. Bonds9

About N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine

N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 63729398) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
PubChem CID63729398
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC NameN-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCCOCCNc1ncnc(Cl)c1CCC
InChIInChI=1S/C13H22ClN3O/c1-3-5-8-18-9-7-15-13-11(6-4-2)12(14)16-10-17-13/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIZGHVNWOPXFXEU-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine (CID 63729398) is N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine is CCCCOCCNc1ncnc(Cl)c1CCC.
What is the InChIKey of N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is IZGHVNWOPXFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-5-8-18-9-7-15-13-11(6-4-2)12(14)16-10-17-13/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine?
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).