2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

C14H17FN4 — CID 80934212

IUPAC2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyJPLGEXTUIZZMLZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.40
Rot. Bonds4

About 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80934212) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
PubChem CID80934212
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyJPLGEXTUIZZMLZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (CID 80934212) is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is CCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is JPLGEXTUIZZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).