5-hexylpyrimidine-2,4,6-triamine

C10H19N5 — CID 3023444

IUPAC5-hexylpyrimidine-2,4,6-triamine
SMILESCCCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C10H19N5/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3,(H6,11,12,13,14,15)
InChIKeyRLGBSGOJEYAKKB-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.35
Rot. Bonds5

About 5-hexylpyrimidine-2,4,6-triamine

5-hexylpyrimidine-2,4,6-triamine (PubChem CID 3023444) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-hexylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-hexylpyrimidine-2,4,6-triamine
PubChem CID3023444
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-hexylpyrimidine-2,4,6-triamine
SMILESCCCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C10H19N5/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3,(H6,11,12,13,14,15)
InChIKeyRLGBSGOJEYAKKB-UHFFFAOYSA-N
XLogP1.35
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Butylpyrimidine-2,4,6-triamine
CID 77706
5-Ethylpyrimidine-2,4,6-triamine
CID 90636
2,4,6-Trichloro-5-heptylpyrimidine
CID 260791
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
Pyrimidine, 4-amino-6-chloro-5-hexyl-2-methyl-
CID 3025148
Pyrimidine, 4-amino-6-chloro-2-methyl-5-pentyl-
CID 3025149
6-Ethyl-5-hexylpyrimidine-2,4-diamine
CID 44356853
5-Hexadecylpyrimidine-2,4,6-triamine
CID 3023450
2,4-Diamino-5-(n-heptyl)-6-methylpyrimidine
CID 5260124
2,4,6-Trichloro-5-nonylpyrimidine
CID 260795
5-Octylpyrimidine-2,4,6-triamine
CID 3023445
5-Dodecylpyrimidine-2,4,6-triamine
CID 3023448

Frequently Asked Questions

What is the IUPAC name of 5-hexylpyrimidine-2,4,6-triamine?
The IUPAC name of 5-hexylpyrimidine-2,4,6-triamine (CID 3023444) is 5-hexylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-hexylpyrimidine-2,4,6-triamine?
The canonical SMILES for 5-hexylpyrimidine-2,4,6-triamine is CCCCCCc1c(N)nc(N)nc1N.
What is the InChIKey of 5-hexylpyrimidine-2,4,6-triamine?
The InChIKey is RLGBSGOJEYAKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3,(H6,11,12,13,14,15).
What are the key properties of 5-hexylpyrimidine-2,4,6-triamine?
5-hexylpyrimidine-2,4,6-triamine has a molecular weight of 209.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 3023444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).