6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine

C15H20N4O4 — CID 13236597

IUPAC6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C15H20N4O4/c1-8-12(14(16)19-15(17)18-8)23-7-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6H,7H2,1-4H3,(H4,16,17,18,19)
InChIKeyPWMNCIBINPBASF-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.55
Rot. Bonds6

About 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine

6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 13236597) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID13236597
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C15H20N4O4/c1-8-12(14(16)19-15(17)18-8)23-7-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6H,7H2,1-4H3,(H4,16,17,18,19)
InChIKeyPWMNCIBINPBASF-UHFFFAOYSA-N
XLogP1.55
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine (CID 13236597) is 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine is COc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC.
What is the InChIKey of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is PWMNCIBINPBASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-8-12(14(16)19-15(17)18-8)23-7-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6H,7H2,1-4H3,(H4,16,17,18,19).
What are the key properties of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 320.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 13236597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).