2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine

C14H17FN4 — CID 80794813

IUPAC2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-16-14-17-9-8-13(18-14)19(2)10-11-4-6-12(15)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17,18)
InChIKeySOLOJLZCIUNYJQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.68
Rot. Bonds5

About 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80794813) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80794813
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-16-14-17-9-8-13(18-14)19(2)10-11-4-6-12(15)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17,18)
InChIKeySOLOJLZCIUNYJQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899795
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80817458

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 80794813) is 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is CCNc1nccc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is SOLOJLZCIUNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-16-14-17-9-8-13(18-14)19(2)10-11-4-6-12(15)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).