5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4O2 — CID 14999857

IUPAC5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
InChIInChI=1S/C16H22N4O2/c1-3-5-22-14-8-11(7-13(9-14)21-4-2)6-12-10-19-16(18)20-15(12)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20)
InChIKeyCHPPBLRQTGLSBZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.42
Rot. Bonds7

About 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14999857) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14999857
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
InChIInChI=1S/C16H22N4O2/c1-3-5-22-14-8-11(7-13(9-14)21-4-2)6-12-10-19-16(18)20-15(12)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20)
InChIKeyCHPPBLRQTGLSBZ-UHFFFAOYSA-N
XLogP2.42
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 14999857) is 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1.
What is the InChIKey of 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CHPPBLRQTGLSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-5-22-14-8-11(7-13(9-14)21-4-2)6-12-10-19-16(18)20-15(12)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).