2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline

C15H18ClN3 — CID 98019806

IUPAC2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
SMILESCC(C)c1ccnc(CCc2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C15H18ClN3/c1-10(2)14-7-8-18-15(19-14)6-4-11-3-5-12(16)13(17)9-11/h3,5,7-10H,4,6,17H2,1-2H3
InChIKeyKHDMYYOAGFJKGL-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline

2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline (PubChem CID 98019806) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
PubChem CID98019806
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
SMILESCC(C)c1ccnc(CCc2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C15H18ClN3/c1-10(2)14-7-8-18-15(19-14)6-4-11-3-5-12(16)13(17)9-11/h3,5,7-10H,4,6,17H2,1-2H3
InChIKeyKHDMYYOAGFJKGL-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
4-[3-(4-propan-2-ylpyrimidin-2-yl)propyl]aniline
CID 96664622
2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82477026
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
CID 82485386
4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 22063652
3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
CID 82478145
ethane;2-ethyl-4-propan-2-ylpyrimidine;sulfanol
CID 165133315
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
CID 63318725
2-fluoro-5-[2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82485622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline (CID 98019806) is 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline is CC(C)c1ccnc(CCc2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline?
The InChIKey is KHDMYYOAGFJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(2)14-7-8-18-15(19-14)6-4-11-3-5-12(16)13(17)9-11/h3,5,7-10H,4,6,17H2,1-2H3.
What are the key properties of 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline?
2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline is sourced from PubChem (CID 98019806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).