N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine

C17H31N3 — CID 18736096

IUPACN-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
SMILESCCCCN(CCC(C)(C)C)c1ncc(CCC)cn1
InChIInChI=1S/C17H31N3/c1-6-8-11-20(12-10-17(3,4)5)16-18-13-15(9-7-2)14-19-16/h13-14H,6-12H2,1-5H3
InChIKeyHSUPCKWJGSBTLM-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.47
Rot. Bonds8

About N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine

N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine (PubChem CID 18736096) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
PubChem CID18736096
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
SMILESCCCCN(CCC(C)(C)C)c1ncc(CCC)cn1
InChIInChI=1S/C17H31N3/c1-6-8-11-20(12-10-17(3,4)5)16-18-13-15(9-7-2)14-19-16/h13-14H,6-12H2,1-5H3
InChIKeyHSUPCKWJGSBTLM-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
N-(3,3-dimethylbutyl)-N-heptan-2-yl-5-propylpyrimidin-2-amine
CID 18735804
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
CID 18735580
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
CID 80669848
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
CID 63873646
propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
CID 142360935
5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine
CID 159429268
N,N-dibutyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83185864
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine
CID 135190134

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine (CID 18736096) is N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine is CCCCN(CCC(C)(C)C)c1ncc(CCC)cn1.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine?
The InChIKey is HSUPCKWJGSBTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-8-11-20(12-10-17(3,4)5)16-18-13-15(9-7-2)14-19-16/h13-14H,6-12H2,1-5H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine?
N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine is sourced from PubChem (CID 18736096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).