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

C15H20N4O2 — CID 11289209

IUPAC5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)ccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyZVKNLYSSNJWJRQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds6

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

5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 11289209) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID11289209
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)ccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyZVKNLYSSNJWJRQ-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-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 11289209) is 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC.
What is the InChIKey of 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZVKNLYSSNJWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-3-propoxyphenyl)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-[(4-methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11289209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).