2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C14H17FN4O — CID 80797043

IUPAC2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17FN4O/c1-3-16-14-18-9-12(15)13(19-14)17-8-10-5-4-6-11(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyGUDFGDZRKQBVGJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.67
Rot. Bonds6

About 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80797043) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID80797043
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17FN4O/c1-3-16-14-18-9-12(15)13(19-14)17-8-10-5-4-6-11(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyGUDFGDZRKQBVGJ-UHFFFAOYSA-N
XLogP2.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950
2-N-ethyl-5-fluoro-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 80771381
4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736524
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80767862
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
4-N-[(2,5-difluorophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80846346
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
2-N-ethyl-5-fluoro-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 106262703
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 80797043) is 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCc2cccc(OC)c2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GUDFGDZRKQBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-16-14-18-9-12(15)13(19-14)17-8-10-5-4-6-11(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80797043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).