N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine

C14H18ClN3 — CID 174941159

IUPACN-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(NC(C)c2cccc(Cl)c2)=NC1
InChIInChI=1S/C14H18ClN3/c1-3-18-8-7-14(16-10-18)17-11(2)12-5-4-6-13(15)9-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyMFCKHDCIXHYYOC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine

N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine (PubChem CID 174941159) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine
PubChem CID174941159
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(NC(C)c2cccc(Cl)c2)=NC1
InChIInChI=1S/C14H18ClN3/c1-3-18-8-7-14(16-10-18)17-11(2)12-5-4-6-13(15)9-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyMFCKHDCIXHYYOC-UHFFFAOYSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine (CID 174941159) is N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine is CCN1C=CC(NC(C)c2cccc(Cl)c2)=NC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine?
The InChIKey is MFCKHDCIXHYYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18-8-7-14(16-10-18)17-11(2)12-5-4-6-13(15)9-12/h4-9,11H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine?
N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine has a molecular weight of 263.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-ethyl-2H-pyrimidin-4-amine is sourced from PubChem (CID 174941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).