2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine

C12H9Cl2F2N3O — CID 170076502

IUPAC2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
SMILESCc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H9Cl2F2N3O/c1-6-4-7(20-12(15)16)2-3-9(6)18-10-8(13)5-17-11(14)19-10/h2-5,12H,1H3,(H,17,18,19)
InChIKeyDINRUJNNRLGGIA-UHFFFAOYSA-N
MW320.13 g/mol
LogP4.44
Rot. Bonds4

About 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine

2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine (PubChem CID 170076502) has the molecular formula C12H9Cl2F2N3O and a molecular weight of 320.13 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
PubChem CID170076502
Molecular FormulaC12H9Cl2F2N3O
Molecular Weight320.13 g/mol
Exact Mass319.01
IUPAC Name2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
SMILESCc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H9Cl2F2N3O/c1-6-4-7(20-12(15)16)2-3-9(6)18-10-8(13)5-17-11(14)19-10/h2-5,12H,1H3,(H,17,18,19)
InChIKeyDINRUJNNRLGGIA-UHFFFAOYSA-N
XLogP4.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine
CID 170078616
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
CID 144841186
tert-butyl 4-[4-[(2,5-dichloropyrimidin-4-yl)amino]-3-(difluoromethoxy)phenyl]piperazine-1-carboxylate
CID 118105653
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 87330243
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
1-(4-bromo-2-chlorophenyl)-3-[4-(difluoromethoxy)-2-methylphenyl]thiourea
CID 2206459

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine (CID 170076502) is 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine is Cc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine?
The InChIKey is DINRUJNNRLGGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2N3O/c1-6-4-7(20-12(15)16)2-3-9(6)18-10-8(13)5-17-11(14)19-10/h2-5,12H,1H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine?
2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine has a molecular weight of 320.13 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine is sourced from PubChem (CID 170076502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).