4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H21FN4 — CID 80984714

IUPAC4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1F)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H21FN4/c1-5-21(13-9-7-6-8-12(13)17)16-11(4)14(18)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20)
InChIKeyNHZFKKHPQAWKTN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.79
Rot. Bonds4

About 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80984714) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80984714
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1F)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H21FN4/c1-5-21(13-9-7-6-8-12(13)17)16-11(4)14(18)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20)
InChIKeyNHZFKKHPQAWKTN-UHFFFAOYSA-N
XLogP3.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446305
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
4-N-(4-fluorophenyl)-4-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983260
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
CID 63023431
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80984714) is 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCN(c1ccccc1F)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NHZFKKHPQAWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-21(13-9-7-6-8-12(13)17)16-11(4)14(18)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20).
What are the key properties of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).