6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

C14H11ClF5N3O — CID 135381332

IUPAC6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)Oc1c(CCNc2cc(Cl)ncn2)cccc1C(F)(F)F
InChIInChI=1S/C14H11ClF5N3O/c15-10-6-11(23-7-22-10)21-5-4-8-2-1-3-9(14(18,19)20)12(8)24-13(16)17/h1-3,6-7,13H,4-5H2,(H,21,22,23)
InChIKeyIIMHIKCQRKDSSB-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.40
Rot. Bonds6

About 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 135381332) has the molecular formula C14H11ClF5N3O and a molecular weight of 367.71 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID135381332
Molecular FormulaC14H11ClF5N3O
Molecular Weight367.71 g/mol
Exact Mass367.05
IUPAC Name6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)Oc1c(CCNc2cc(Cl)ncn2)cccc1C(F)(F)F
InChIInChI=1S/C14H11ClF5N3O/c15-10-6-11(23-7-22-10)21-5-4-8-2-1-3-9(14(18,19)20)12(8)24-13(16)17/h1-3,6-7,13H,4-5H2,(H,21,22,23)
InChIKeyIIMHIKCQRKDSSB-UHFFFAOYSA-N
XLogP4.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diamino-5-[3-trifluoromethyl-4-methoxybenzyl]pyrimidine
CID 626825
N-[2-(4-methoxyphenyl)ethyl]-4-pyrimidinamine hydrochloride
CID 2965286
5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3233650
4-N-[(2-methoxyphenyl)methyl]-2-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine
CID 44528414
Flufenerim
CID 11079009
Diflumetorim
CID 15390131
2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3233159
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233518
(NE)-N-[[4-chloro-6-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 72187989
6-chloro-4-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 40011608
(NZ)-N-[[4-chloro-6-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 153640732
(NE)-N-[[4-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 155528566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (CID 135381332) is 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is FC(F)Oc1c(CCNc2cc(Cl)ncn2)cccc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is IIMHIKCQRKDSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF5N3O/c15-10-6-11(23-7-22-10)21-5-4-8-2-1-3-9(14(18,19)20)12(8)24-13(16)17/h1-3,6-7,13H,4-5H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 367.71 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135381332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).