1,4-dipentyl-2H-pyrimidin-2-amine

C14H27N3 — CID 118919039

IUPAC1,4-dipentyl-2H-pyrimidin-2-amine
SMILESCCCCCC1=NC(N)N(CCCCC)C=C1
InChIInChI=1S/C14H27N3/c1-3-5-7-9-13-10-12-17(14(15)16-13)11-8-6-4-2/h10,12,14H,3-9,11,15H2,1-2H3
InChIKeyHGHZUTIYEJFMOZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.27
Rot. Bonds8

About 1,4-dipentyl-2H-pyrimidin-2-amine

1,4-dipentyl-2H-pyrimidin-2-amine (PubChem CID 118919039) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,4-dipentyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1,4-dipentyl-2H-pyrimidin-2-amine
PubChem CID118919039
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1,4-dipentyl-2H-pyrimidin-2-amine
SMILESCCCCCC1=NC(N)N(CCCCC)C=C1
InChIInChI=1S/C14H27N3/c1-3-5-7-9-13-10-12-17(14(15)16-13)11-8-6-4-2/h10,12,14H,3-9,11,15H2,1-2H3
InChIKeyHGHZUTIYEJFMOZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.27
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

3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine
CID 66709652
1-methyl-3-nonyl-2H-imidazol-2-amine
CID 174918216
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
2-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641

Frequently Asked Questions

What is the IUPAC name of 1,4-dipentyl-2H-pyrimidin-2-amine?
The IUPAC name of 1,4-dipentyl-2H-pyrimidin-2-amine (CID 118919039) is 1,4-dipentyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1,4-dipentyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1,4-dipentyl-2H-pyrimidin-2-amine is CCCCCC1=NC(N)N(CCCCC)C=C1.
What is the InChIKey of 1,4-dipentyl-2H-pyrimidin-2-amine?
The InChIKey is HGHZUTIYEJFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-5-7-9-13-10-12-17(14(15)16-13)11-8-6-4-2/h10,12,14H,3-9,11,15H2,1-2H3.
What are the key properties of 1,4-dipentyl-2H-pyrimidin-2-amine?
1,4-dipentyl-2H-pyrimidin-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipentyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 118919039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).