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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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).