4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine

C17H13ClFN3O — CID 1472403

IUPAC4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C17H13ClFN3O/c18-14-2-1-3-15(19)13(14)10-23-12-6-4-11(5-7-12)16-8-9-21-17(20)22-16/h1-9H,10H2,(H2,20,21,22)
InChIKeyLAMKPYKCCSEZKX-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.10
Rot. Bonds4

About 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine

4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine (PubChem CID 1472403) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine
PubChem CID1472403
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C17H13ClFN3O/c18-14-2-1-3-15(19)13(14)10-23-12-6-4-11(5-7-12)16-8-9-21-17(20)22-16/h1-9H,10H2,(H2,20,21,22)
InChIKeyLAMKPYKCCSEZKX-UHFFFAOYSA-N
XLogP4.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
CID 11561538
4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
CID 51049656
5-(3-Chlorophenyl)-6-(4-phenoxybutyl)pyrimidine-2,4-diamine;hydrochloride
CID 155557612
4,5-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 3809552
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
(16E)-11-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739511
(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739835
4-Chloro-6-(2-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 46914446
13,19-Dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,15,20,22-decaene
CID 73321229
(2S)-1-[2-fluoro-4-(2-propan-2-ylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390126
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
CID 146185123
4-Chloro-6-[1-methyl-4-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101864

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine (CID 1472403) is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine is Nc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1.
What is the InChIKey of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine?
The InChIKey is LAMKPYKCCSEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c18-14-2-1-3-15(19)13(14)10-23-12-6-4-11(5-7-12)16-8-9-21-17(20)22-16/h1-9H,10H2,(H2,20,21,22).
What are the key properties of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine?
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine has a molecular weight of 329.76 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 1472403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).