6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C18H18FN5 — CID 44526636

IUPAC6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5/c1-2-15-11-17(21-12-13-7-9-20-10-8-13)24-18(22-15)23-16-5-3-14(19)4-6-16/h3-11H,2,12H2,1H3,(H2,21,22,23,24)
InChIKeyNZBWPJOQFJOVTQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.93
Rot. Bonds6

About 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 44526636) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID44526636
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5/c1-2-15-11-17(21-12-13-7-9-20-10-8-13)24-18(22-15)23-16-5-3-14(19)4-6-16/h3-11H,2,12H2,1H3,(H2,21,22,23,24)
InChIKeyNZBWPJOQFJOVTQ-UHFFFAOYSA-N
XLogP3.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 44526636) is 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NZBWPJOQFJOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-2-15-11-17(21-12-13-7-9-20-10-8-13)24-18(22-15)23-16-5-3-14(19)4-6-16/h3-11H,2,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 323.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).