4-nonadecylpyrimidin-2-amine

C23H43N3 — CID 141119145

IUPAC4-nonadecylpyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(N)n1
InChIInChI=1S/C23H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-25-23(24)26-22/h20-21H,2-19H2,1H3,(H2,24,25,26)
InChIKeyTZBDJZRPSYKAHA-UHFFFAOYSA-N
MW361.62 g/mol
LogP7.25
Rot. Bonds18

About 4-nonadecylpyrimidin-2-amine

4-nonadecylpyrimidin-2-amine (PubChem CID 141119145) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 4-nonadecylpyrimidin-2-amine.

Molecular Properties

Compound Name4-nonadecylpyrimidin-2-amine
PubChem CID141119145
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name4-nonadecylpyrimidin-2-amine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(N)n1
InChIInChI=1S/C23H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-25-23(24)26-22/h20-21H,2-19H2,1H3,(H2,24,25,26)
InChIKeyTZBDJZRPSYKAHA-UHFFFAOYSA-N
XLogP7.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 57.25
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

4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
2-(2-aminopyrimidin-4-yl)ethanol
CID 22444209
2,6-didodecylpyridine
CID 90943274
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-butyl-2-propylpyrimidine
CID 20597890
2,6-dipentylpyridine
CID 58097448
2-(4-hexoxyphenyl)-4-hexylpyrimidine
CID 70349513
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-(chloromethyl)pyrimidin-2-amine
CID 20557938
2-undecylpyridine
CID 66882765
2-pentyl-1,8-naphthyridine
CID 11481079

Frequently Asked Questions

What is the IUPAC name of 4-nonadecylpyrimidin-2-amine?
The IUPAC name of 4-nonadecylpyrimidin-2-amine (CID 141119145) is 4-nonadecylpyrimidin-2-amine.
What is the SMILES notation for 4-nonadecylpyrimidin-2-amine?
The canonical SMILES for 4-nonadecylpyrimidin-2-amine is CCCCCCCCCCCCCCCCCCCc1ccnc(N)n1.
What is the InChIKey of 4-nonadecylpyrimidin-2-amine?
The InChIKey is TZBDJZRPSYKAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-25-23(24)26-22/h20-21H,2-19H2,1H3,(H2,24,25,26).
What are the key properties of 4-nonadecylpyrimidin-2-amine?
4-nonadecylpyrimidin-2-amine has a molecular weight of 361.62 g/mol, XLogP of 7.25, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonadecylpyrimidin-2-amine is sourced from PubChem (CID 141119145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).