5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine

C22H26N4O2 — CID 69180694

IUPAC5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)c(CC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14(15-7-5-4-6-8-15)9-16-11-19(27-2)20(28-3)12-17(16)10-18-13-25-22(24)26-21(18)23/h4-8,11-14H,9-10H2,1-3H3,(H4,23,24,25,26)
InChIKeyYNYLIKRACMRONZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.60
Rot. Bonds7

About 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine

5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 69180694) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID69180694
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)c(CC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14(15-7-5-4-6-8-15)9-16-11-19(27-2)20(28-3)12-17(16)10-18-13-25-22(24)26-21(18)23/h4-8,11-14H,9-10H2,1-3H3,(H4,23,24,25,26)
InChIKeyYNYLIKRACMRONZ-UHFFFAOYSA-N
XLogP3.60
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11419251
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
CID 87725227
2-(benzenesulfinyl)-1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanone
CID 54374559
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-propan-2-ylbenzonitrile
CID 59598688
5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 159079833
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
CID 70525378
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421

Frequently Asked Questions

What is the IUPAC name of 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 69180694) is 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)c(CC(C)c2ccccc2)cc1OC.
What is the InChIKey of 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is YNYLIKRACMRONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(15-7-5-4-6-8-15)9-16-11-19(27-2)20(28-3)12-17(16)10-18-13-25-22(24)26-21(18)23/h4-8,11-14H,9-10H2,1-3H3,(H4,23,24,25,26).
What are the key properties of 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69180694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).