6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C14H13ClF3N3 — CID 63729574

IUPAC6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3N3/c1-2-11-12(15)20-8-21-13(11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21)
InChIKeySPYMTBQRWRQUFV-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 63729574) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID63729574
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3N3/c1-2-11-12(15)20-8-21-13(11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21)
InChIKeySPYMTBQRWRQUFV-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 62663421
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
ethyl 4-[[3-(trifluoromethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-5-carboxylate
CID 84556426
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 63729574) is 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is SPYMTBQRWRQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-2-11-12(15)20-8-21-13(11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 315.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 63729574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).