5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine

C14H18N4O2 — CID 12752291

IUPAC5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1C
InChIInChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyAXLRMDRWQOKEIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.56
Rot. Bonds4

About 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine

5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 12752291) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID12752291
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1C
InChIInChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyAXLRMDRWQOKEIY-UHFFFAOYSA-N
XLogP1.56
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 12752291) is 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C.
What is the InChIKey of 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AXLRMDRWQOKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxy-4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12752291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).