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

C16H22N4O3 — CID 14570167

IUPAC5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKeyGFFLTURAVOQTBS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.04
Rot. Bonds7

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

5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14570167) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14570167
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKeyGFFLTURAVOQTBS-UHFFFAOYSA-N
XLogP2.04
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 14570167) is 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.
What is the InChIKey of 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GFFLTURAVOQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20).
What are the key properties of 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 318.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxy-5-propoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).