2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

C14H16F2N4 — CID 112899159

IUPAC2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-3-20(4-2)13-7-8-17-14(19-13)18-12-6-5-10(15)9-11(12)16/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyFCYGSDYLVIIQJY-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.34
Rot. Bonds5

About 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 112899159) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID112899159
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-3-20(4-2)13-7-8-17-14(19-13)18-12-6-5-10(15)9-11(12)16/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyFCYGSDYLVIIQJY-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-butyl-2-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900650
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924174
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937696
2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899106
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170
2-N-(2,4-difluorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 112896147
2-N-(2,3-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899171
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (CID 112899159) is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is FCYGSDYLVIIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-20(4-2)13-7-8-17-14(19-13)18-12-6-5-10(15)9-11(12)16/h5-9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-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 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).