4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C14H18FN5 — CID 80851697

IUPAC4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(C)n1)c1nc(NC)ncc1F
InChIInChI=1S/C14H18FN5/c1-4-20(9-11-7-5-6-10(2)18-11)13-12(15)8-17-14(16-3)19-13/h5-8H,4,9H2,1-3H3,(H,16,17,19)
InChIKeyXMUYJSQADFPQQO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.39
Rot. Bonds5

About 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80851697) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID80851697
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(C)n1)c1nc(NC)ncc1F
InChIInChI=1S/C14H18FN5/c1-4-20(9-11-7-5-6-10(2)18-11)13-12(15)8-17-14(16-3)19-13/h5-8H,4,9H2,1-3H3,(H,16,17,19)
InChIKeyXMUYJSQADFPQQO-UHFFFAOYSA-N
XLogP2.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 80851697) is 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is CCN(Cc1cccc(C)n1)c1nc(NC)ncc1F.
What is the InChIKey of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XMUYJSQADFPQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-4-20(9-11-7-5-6-10(2)18-11)13-12(15)8-17-14(16-3)19-13/h5-8H,4,9H2,1-3H3,(H,16,17,19).
What are the key properties of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80851697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).