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

C13H16N4O — CID 10562267

IUPAC5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-9(11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
InChIKeyHXHYGBILPKEANE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.63
Rot. Bonds4

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

5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10562267) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10562267
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-9(11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
InChIKeyHXHYGBILPKEANE-UHFFFAOYSA-N
XLogP1.63
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Diaveridine
CID 21453
Ormetoprim
CID 23418
Thonzylamine
CID 5457
Tetroxoprim
CID 65450
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
5-(4-Methoxy-2-(propan-2-yl)phenoxy)pyrimidine-2,4-diamine
CID 16117816
GW-2580
CID 11617559
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-
CID 88496
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
CID 3078601

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10562267) is 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCOc1ccccc1Cc1cnc(N)nc1N.
What is the InChIKey of 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HXHYGBILPKEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-9(11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10562267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).