5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine

C14H14Cl2FN3 — CID 19104016

IUPAC5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NC(C)c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-8(17)13-12(16)14(19-7-18-13)20-9(2)10-4-3-5-11(15)6-10/h3-9H,1-2H3,(H,18,19,20)
InChIKeyQUHGCXRRQYTDAC-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.99
Rot. Bonds4

About 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine

5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine (PubChem CID 19104016) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
PubChem CID19104016
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NC(C)c2cccc(Cl)c2)c1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-8(17)13-12(16)14(19-7-18-13)20-9(2)10-4-3-5-11(15)6-10/h3-9H,1-2H3,(H,18,19,20)
InChIKeyQUHGCXRRQYTDAC-UHFFFAOYSA-N
XLogP4.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 115416691
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
CID 11644513
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730906
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine (CID 19104016) is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine is CC(F)c1ncnc(NC(C)c2cccc(Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine?
The InChIKey is QUHGCXRRQYTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-8(17)13-12(16)14(19-7-18-13)20-9(2)10-4-3-5-11(15)6-10/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine?
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 19104016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).