5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine

C17H24N4O4 — CID 14999854

IUPAC5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1ccc(Cc2cnc(N)nc2N)cc1OCCOC
InChIInChI=1S/C17H24N4O4/c1-22-5-7-24-14-4-3-12(10-15(14)25-8-6-23-2)9-13-11-20-17(19)21-16(13)18/h3-4,10-11H,5-9H2,1-2H3,(H4,18,19,20,21)
InChIKeyLMMYDNOLGSNIBJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.28
Rot. Bonds10

About 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 14999854) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID14999854
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1ccc(Cc2cnc(N)nc2N)cc1OCCOC
InChIInChI=1S/C17H24N4O4/c1-22-5-7-24-14-4-3-12(10-15(14)25-8-6-23-2)9-13-11-20-17(19)21-16(13)18/h3-4,10-11H,5-9H2,1-2H3,(H4,18,19,20,21)
InChIKeyLMMYDNOLGSNIBJ-UHFFFAOYSA-N
XLogP1.28
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 71650296
5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 3078601
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11419251
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-propoxyphenol
CID 23470807
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
N-[4-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenoxy]propylsulfonyl]phenyl]acetamide
CID 86737614
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
5-[(3,5-dimethoxy-4-methylsulfonylphenyl)methyl]pyrimidine-2,4-diamine
CID 70611932

Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 14999854) is 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine is COCCOc1ccc(Cc2cnc(N)nc2N)cc1OCCOC.
What is the InChIKey of 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is LMMYDNOLGSNIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-22-5-7-24-14-4-3-12(10-15(14)25-8-6-23-2)9-13-11-20-17(19)21-16(13)18/h3-4,10-11H,5-9H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 348.40 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).