5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine

C14H12Cl2FN3O2 — CID 139514502

IUPAC5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(/C(F)=C/c2cnc(N)nc2)c1Cl
InChIInChI=1S/C14H12Cl2FN3O2/c1-21-9-4-10(22-2)13(16)11(12(9)15)8(17)3-7-5-19-14(18)20-6-7/h3-6H,1-2H3,(H2,18,19,20)/b8-3-
InChIKeyICWXKYPGYWXAJN-BAQGIRSFSA-N
MW344.17 g/mol
LogP3.85
Rot. Bonds4

About 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine

5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine (PubChem CID 139514502) has the molecular formula C14H12Cl2FN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine
PubChem CID139514502
Molecular FormulaC14H12Cl2FN3O2
Molecular Weight344.17 g/mol
Exact Mass343.03
IUPAC Name5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(/C(F)=C/c2cnc(N)nc2)c1Cl
InChIInChI=1S/C14H12Cl2FN3O2/c1-21-9-4-10(22-2)13(16)11(12(9)15)8(17)3-7-5-19-14(18)20-6-7/h3-6H,1-2H3,(H2,18,19,20)/b8-3-
InChIKeyICWXKYPGYWXAJN-BAQGIRSFSA-N
XLogP3.85
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
CID 146408183
N-[2-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]-4-methoxy-3-methylphenyl]prop-2-enamide
CID 146408131
tert-butyl N-[(4S)-4-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]oxolan-3-yl]carbamate
CID 139514557
tert-butyl 2-[(3R,4S)-4-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]oxolan-3-yl]acetate
CID 158920516
tert-butyl 3-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]-4-(2-oxobut-3-enyl)pyrrolidine-1-carboxylate
CID 158527716
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
cyclopentane;6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;prop-2-enamide
CID 144836225
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 150371254

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine?
The IUPAC name of 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine (CID 139514502) is 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine is COc1cc(OC)c(Cl)c(/C(F)=C/c2cnc(N)nc2)c1Cl.
What is the InChIKey of 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine?
The InChIKey is ICWXKYPGYWXAJN-BAQGIRSFSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O2/c1-21-9-4-10(22-2)13(16)11(12(9)15)8(17)3-7-5-19-14(18)20-6-7/h3-6H,1-2H3,(H2,18,19,20)/b8-3-.
What are the key properties of 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine?
5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine has a molecular weight of 344.17 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-amine is sourced from PubChem (CID 139514502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).