6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

C19H22N4O4 — CID 112871463

IUPAC6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccco3)nc(C)n2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4/c1-12-21-17(20-11-14-6-5-7-27-14)10-18(22-12)23-13-8-15(24-2)19(26-4)16(9-13)25-3/h5-10H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyZFRFPCYPLSQOFY-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.76
Rot. Bonds8

About 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112871463) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112871463
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccco3)nc(C)n2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4/c1-12-21-17(20-11-14-6-5-7-27-14)10-18(22-12)23-13-8-15(24-2)19(26-4)16(9-13)25-3/h5-10H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyZFRFPCYPLSQOFY-UHFFFAOYSA-N
XLogP3.76
TPSA90.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
6-N-[(2-fluorophenyl)methyl]-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112872420
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
4-N-(1,3-benzodioxol-5-yl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871457
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400
4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871462
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (CID 112871463) is 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is COc1cc(Nc2cc(NCc3ccco3)nc(C)n2)cc(OC)c1OC.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZFRFPCYPLSQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-21-17(20-11-14-6-5-7-27-14)10-18(22-12)23-13-8-15(24-2)19(26-4)16(9-13)25-3/h5-10H,11H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 370.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112871463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).