4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C16H16N4O2 — CID 112889206

IUPAC4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nccc(NCc2ccco2)n1
InChIInChI=1S/C16H16N4O2/c1-21-14-7-3-2-6-13(14)19-16-17-9-8-15(20-16)18-11-12-5-4-10-22-12/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChIKeyOGBYESIXFJSSGA-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.43
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112889206) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112889206
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nccc(NCc2ccco2)n1
InChIInChI=1S/C16H16N4O2/c1-21-14-7-3-2-6-13(14)19-16-17-9-8-15(20-16)18-11-12-5-4-10-22-12/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChIKeyOGBYESIXFJSSGA-UHFFFAOYSA-N
XLogP3.43
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112947274
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889388
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889389
2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892168
N-[4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112889223
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
4-N-(4-bromophenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904434
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889271
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 112889206) is 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1nccc(NCc2ccco2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is OGBYESIXFJSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-7-3-2-6-13(14)19-16-17-9-8-15(20-16)18-11-12-5-4-10-22-12/h2-10H,11H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 296.33 g/mol, XLogP of 3.43, 6 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-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).