5-chloro-N-hexylpyrimidin-2-amine

C10H16ClN3 — CID 79555195

IUPAC5-chloro-N-hexylpyrimidin-2-amine
SMILESCCCCCCNc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-2-3-4-5-6-12-10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyPYQLOUYZEJYXAD-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.12
Rot. Bonds6

About 5-chloro-N-hexylpyrimidin-2-amine

5-chloro-N-hexylpyrimidin-2-amine (PubChem CID 79555195) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-N-hexylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-hexylpyrimidin-2-amine
PubChem CID79555195
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name5-chloro-N-hexylpyrimidin-2-amine
SMILESCCCCCCNc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-2-3-4-5-6-12-10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyPYQLOUYZEJYXAD-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.12
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

5-methyl-N-octylpyrimidin-2-amine
CID 115568974
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 79566523
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79557378
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-hexylpyrimidin-2-amine (CID 79555195) is 5-chloro-N-hexylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-hexylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-hexylpyrimidin-2-amine is CCCCCCNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-hexylpyrimidin-2-amine?
The InChIKey is PYQLOUYZEJYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-2-3-4-5-6-12-10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-hexylpyrimidin-2-amine?
5-chloro-N-hexylpyrimidin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexylpyrimidin-2-amine is sourced from PubChem (CID 79555195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).