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

C15H21ClN4O4 — CID 44522570

IUPAC6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C15H20N4O4.ClH/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);1H
InChIKeyYBSHRCWGJPLKBV-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.98
Rot. Bonds6

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

6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44522570) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44522570
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Name6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C15H20N4O4.ClH/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);1H
InChIKeyYBSHRCWGJPLKBV-UHFFFAOYSA-N
XLogP1.98
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.98
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;hydrochloride?
The IUPAC name of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride (CID 44522570) is 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride is COc1cc(COc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl.
What is the InChIKey of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is YBSHRCWGJPLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4.ClH/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);1H.
What are the key properties of 6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride?
6-methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of 1.98, 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;hydrochloride is sourced from PubChem (CID 44522570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).