N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine

C19H35N3 — CID 71106937

IUPACN,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine
SMILESCCCCCC(C)N(CCCC)c1nccc(CCCC)n1
InChIInChI=1S/C19H35N3/c1-5-8-11-12-17(4)22(16-10-7-3)19-20-15-14-18(21-19)13-9-6-2/h14-15,17H,5-13,16H2,1-4H3
InChIKeyNTZGUTACWNJUMZ-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.39
Rot. Bonds12

About N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine

N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine (PubChem CID 71106937) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine
PubChem CID71106937
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC NameN,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine
SMILESCCCCCC(C)N(CCCC)c1nccc(CCCC)n1
InChIInChI=1S/C19H35N3/c1-5-8-11-12-17(4)22(16-10-7-3)19-20-15-14-18(21-19)13-9-6-2/h14-15,17H,5-13,16H2,1-4H3
InChIKeyNTZGUTACWNJUMZ-UHFFFAOYSA-N
XLogP5.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
CID 18735571
N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine
CID 71107039
N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine
CID 71106931
4-butyl-2-propylpyrimidine
CID 20597890
N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine
CID 142121022
4-nonadecylpyrimidin-2-amine
CID 141119145
N-(3,3-dimethylbutyl)-N-heptan-2-yl-5-propylpyrimidin-2-amine
CID 18735804
2-propan-2-yl-4-propylpyrimidine
CID 58111235
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
CID 142120097
ethane;N-methyl-N-nonan-5-yl-4-propylpyrimidin-2-amine;propanal
CID 142122000

Frequently Asked Questions

What is the IUPAC name of N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine?
The IUPAC name of N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine (CID 71106937) is N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine?
The canonical SMILES for N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine is CCCCCC(C)N(CCCC)c1nccc(CCCC)n1.
What is the InChIKey of N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine?
The InChIKey is NTZGUTACWNJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-5-8-11-12-17(4)22(16-10-7-3)19-20-15-14-18(21-19)13-9-6-2/h14-15,17H,5-13,16H2,1-4H3.
What are the key properties of N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine?
N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine has a molecular weight of 305.51 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 71106937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).