5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine

C17H30ClN3 — CID 67669579

IUPAC5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
SMILESCCCCCCCC(CC)CNc1ncnc(CC)c1Cl
InChIInChI=1S/C17H30ClN3/c1-4-7-8-9-10-11-14(5-2)12-19-17-16(18)15(6-3)20-13-21-17/h13-14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyRMSSJYLWOJKOGY-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.49
Rot. Bonds11

About 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine

5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine (PubChem CID 67669579) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
PubChem CID67669579
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
SMILESCCCCCCCC(CC)CNc1ncnc(CC)c1Cl
InChIInChI=1S/C17H30ClN3/c1-4-7-8-9-10-11-14(5-2)12-19-17-16(18)15(6-3)20-13-21-17/h13-14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyRMSSJYLWOJKOGY-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.49
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

6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
5-chloro-6-ethyl-N-(9-methoxynonan-3-yl)pyrimidin-4-amine
CID 15016171
5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816515
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
2-ethyl-N-methylundecan-1-amine
CID 63522579
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 133490479
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine (CID 67669579) is 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine is CCCCCCCC(CC)CNc1ncnc(CC)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine?
The InChIKey is RMSSJYLWOJKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-4-7-8-9-10-11-14(5-2)12-19-17-16(18)15(6-3)20-13-21-17/h13-14H,4-12H2,1-3H3,(H,19,20,21).
What are the key properties of 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine?
5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine has a molecular weight of 311.90 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine is sourced from PubChem (CID 67669579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).