5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

C24H30N4O4 — CID 11419251

IUPAC5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCOCCCOc1ccccc1
InChIInChI=1S/C24H30N4O4/c1-29-22-16-18(15-19-17-27-24(26)28-23(19)25)9-10-21(22)32-14-6-12-30-11-5-13-31-20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H4,25,26,27,28)
InChIKeyJPRNWMXRFQENNV-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.49
Rot. Bonds13

About 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 11419251) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID11419251
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCOCCCOc1ccccc1
InChIInChI=1S/C24H30N4O4/c1-29-22-16-18(15-19-17-27-24(26)28-23(19)25)9-10-21(22)32-14-6-12-30-11-5-13-31-20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H4,25,26,27,28)
InChIKeyJPRNWMXRFQENNV-UHFFFAOYSA-N
XLogP3.49
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.49
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-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999854
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-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
5-[[4-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 165180336
5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475
5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71377421
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine (CID 11419251) is 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)ccc1OCCCOCCCOc1ccccc1.
What is the InChIKey of 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is JPRNWMXRFQENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-29-22-16-18(15-19-17-27-24(26)28-23(19)25)9-10-21(22)32-14-6-12-30-11-5-13-31-20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H4,25,26,27,28).
What are the key properties of 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 438.53 g/mol, XLogP of 3.49, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11419251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).