4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C15H17FN4O — CID 80801156

IUPAC4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCOc3ccccc32)n1
InChIInChI=1S/C15H17FN4O/c1-2-17-15-18-9-11(16)14(20-15)19-12-7-8-21-13-6-4-3-5-10(12)13/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyVCEDHIYIWSOFMP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.98
Rot. Bonds4

About 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80801156) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80801156
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCOc3ccccc32)n1
InChIInChI=1S/C15H17FN4O/c1-2-17-15-18-9-11(16)14(20-15)19-12-7-8-21-13-6-4-3-5-10(12)13/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyVCEDHIYIWSOFMP-UHFFFAOYSA-N
XLogP2.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80835746
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80797379
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
CID 114598832
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
CID 108774216

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80801156) is 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NC2CCOc3ccccc32)n1.
What is the InChIKey of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is VCEDHIYIWSOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-17-15-18-9-11(16)14(20-15)19-12-7-8-21-13-6-4-3-5-10(12)13/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 288.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).