5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine

C19H22N4O3 — CID 22636965

IUPAC5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1ccco1
InChIInChI=1S/C19H22N4O3/c1-3-24-15-9-12(8-13-11-22-19(21)23-18(13)20)10-16(25-4-2)17(15)14-6-5-7-26-14/h5-7,9-11H,3-4,8H2,1-2H3,(H4,20,21,22,23)
InChIKeyRQGXDWARDWEFOU-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.29
Rot. Bonds7

About 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 22636965) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID22636965
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1ccco1
InChIInChI=1S/C19H22N4O3/c1-3-24-15-9-12(8-13-11-22-19(21)23-18(13)20)10-16(25-4-2)17(15)14-6-5-7-26-14/h5-7,9-11H,3-4,8H2,1-2H3,(H4,20,21,22,23)
InChIKeyRQGXDWARDWEFOU-UHFFFAOYSA-N
XLogP3.29
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3,5-diethoxy-4-(3-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22637054
5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol
CID 147335866
5-[[4-(3-amino-4-fluorophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637019
5-[[3-ethoxy-4-[4-(methylamino)phenyl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637002
5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propan-2-yloxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22636903
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 22636806
N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenyl]methanesulfonamide
CID 22637026
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 70131470
5-[[3-ethoxy-5-(3-methoxy-2,2-dimethylpropoxy)-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636928
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636816

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine (CID 22636965) is 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1ccco1.
What is the InChIKey of 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RQGXDWARDWEFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-24-15-9-12(8-13-11-22-19(21)23-18(13)20)10-16(25-4-2)17(15)14-6-5-7-26-14/h5-7,9-11H,3-4,8H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 354.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22636965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).