6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

C14H16F2N4 — CID 112863564

IUPAC6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C14H16F2N4/c1-3-20(4-2)14-8-13(17-9-18-14)19-10-5-6-11(15)12(16)7-10/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyAZGPOILBCSHHJO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.34
Rot. Bonds5

About 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (PubChem CID 112863564) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
PubChem CID112863564
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C14H16F2N4/c1-3-20(4-2)14-8-13(17-9-18-14)19-10-5-6-11(15)12(16)7-10/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyAZGPOILBCSHHJO-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
ethyl 4-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863541
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112864554
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860541
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968894

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (CID 112863564) is 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The InChIKey is AZGPOILBCSHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-20(4-2)14-8-13(17-9-18-14)19-10-5-6-11(15)12(16)7-10/h5-9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).