4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C19H22N4O2 — CID 112915134

IUPAC4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nc(C)cc(NCc3ccco3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-14-11-18(21-13-17-7-4-10-25-17)23-19(22-14)20-9-8-15-5-3-6-16(12-15)24-2/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyWRTSGQZBLWZGLJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.65
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112915134) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112915134
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2nc(C)cc(NCc3ccco3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-14-11-18(21-13-17-7-4-10-25-17)23-19(22-14)20-9-8-15-5-3-6-16(12-15)24-2/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyWRTSGQZBLWZGLJ-UHFFFAOYSA-N
XLogP3.65
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
2-N-(3-methoxyphenyl)-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921166
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
4-[[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112921279
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912611
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112915134) is 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is COc1cccc(CCNc2nc(C)cc(NCc3ccco3)n2)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is WRTSGQZBLWZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-11-18(21-13-17-7-4-10-25-17)23-19(22-14)20-9-8-15-5-3-6-16(12-15)24-2/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 338.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).