4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine

C16H16FN5O2 — CID 135353367

IUPAC4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1cc(F)ccc1N(Cc1cocn1)c1ccnc(N)n1
InChIInChI=1S/C16H16FN5O2/c1-2-24-14-7-11(17)3-4-13(14)22(8-12-9-23-10-20-12)15-5-6-19-16(18)21-15/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21)
InChIKeyIUVXRWSTXOZXJI-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.92
Rot. Bonds6

About 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 135353367) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID135353367
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1cc(F)ccc1N(Cc1cocn1)c1ccnc(N)n1
InChIInChI=1S/C16H16FN5O2/c1-2-24-14-7-11(17)3-4-13(14)22(8-12-9-23-10-20-12)15-5-6-19-16(18)21-15/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21)
InChIKeyIUVXRWSTXOZXJI-UHFFFAOYSA-N
XLogP2.92
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 135353367) is 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine is CCOc1cc(F)ccc1N(Cc1cocn1)c1ccnc(N)n1.
What is the InChIKey of 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IUVXRWSTXOZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-2-24-14-7-11(17)3-4-13(14)22(8-12-9-23-10-20-12)15-5-6-19-16(18)21-15/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21).
What are the key properties of 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 329.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-4-fluorophenyl)-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135353367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).