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

C15H20N4O2 — CID 14999856

IUPAC5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
InChIInChI=1S/C15H20N4O2/c1-3-20-12-6-10(7-13(8-12)21-4-2)5-11-9-18-15(17)19-14(11)16/h6-9H,3-5H2,1-2H3,(H4,16,17,18,19)
InChIKeyNYWXRUJDDNLNKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds6

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

5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14999856) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14999856
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
InChIInChI=1S/C15H20N4O2/c1-3-20-12-6-10(7-13(8-12)21-4-2)5-11-9-18-15(17)19-14(11)16/h6-9H,3-5H2,1-2H3,(H4,16,17,18,19)
InChIKeyNYWXRUJDDNLNKN-UHFFFAOYSA-N
XLogP2.03
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 14999856) is 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1.
What is the InChIKey of 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NYWXRUJDDNLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-20-12-6-10(7-13(8-12)21-4-2)5-11-9-18-15(17)19-14(11)16/h6-9H,3-5H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).