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

C17H24N4O3 — CID 10336868

IUPAC5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC
InChIInChI=1S/C17H24N4O3/c1-4-22-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(23-5-2)15(13)24-6-3/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)
InChIKeySTZJRFWCENXOFU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds8

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

5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10336868) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10336868
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC
InChIInChI=1S/C17H24N4O3/c1-4-22-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(23-5-2)15(13)24-6-3/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)
InChIKeySTZJRFWCENXOFU-UHFFFAOYSA-N
XLogP2.43
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
Brodimoprim
CID 68760
Iclaprim
CID 213043
Tetroxoprim
CID 65450
Ormetoprim
CID 23418
Aditoprime
CID 68755
2,4-Diamino-5-piperonylpyrimidine
CID 26341
Metioprim
CID 68590
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
CID 10247560
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Trimethoprim lactate
CID 3084396

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10336868) is 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC.
What is the InChIKey of 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is STZJRFWCENXOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-22-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(23-5-2)15(13)24-6-3/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21).
What are the key properties of 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 332.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10336868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).