6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine

C14H24ClN3 — CID 80940743

IUPAC6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
SMILESCCCCCC(C)Nc1cc(Cl)nc(CCC)n1
InChIInChI=1S/C14H24ClN3/c1-4-6-7-9-11(3)16-14-10-12(15)17-13(18-14)8-5-2/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyGVWRJQSUQGXCIL-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.46
Rot. Bonds8

About 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine

6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine (PubChem CID 80940743) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
PubChem CID80940743
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
SMILESCCCCCC(C)Nc1cc(Cl)nc(CCC)n1
InChIInChI=1S/C14H24ClN3/c1-4-6-7-9-11(3)16-14-10-12(15)17-13(18-14)8-5-2/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyGVWRJQSUQGXCIL-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.46
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-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine (CID 80940743) is 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine is CCCCCC(C)Nc1cc(Cl)nc(CCC)n1.
What is the InChIKey of 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine?
The InChIKey is GVWRJQSUQGXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-4-6-7-9-11(3)16-14-10-12(15)17-13(18-14)8-5-2/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine?
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).