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

C17H24N4O3 — CID 12752257

IUPAC5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(C)C
InChIInChI=1S/C17H24N4O3/c1-10(2)9-24-15-13(22-3)6-11(7-14(15)23-4)5-12-8-20-17(19)21-16(12)18/h6-8,10H,5,9H2,1-4H3,(H4,18,19,20,21)
InChIKeyBJPOVHKQRRHFIB-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.28
Rot. Bonds7

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

5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 12752257) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID12752257
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(C)C
InChIInChI=1S/C17H24N4O3/c1-10(2)9-24-15-13(22-3)6-11(7-14(15)23-4)5-12-8-20-17(19)21-16(12)18/h6-8,10H,5,9H2,1-4H3,(H4,18,19,20,21)
InChIKeyBJPOVHKQRRHFIB-UHFFFAOYSA-N
XLogP2.28
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 12752257) is 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(C)C.
What is the InChIKey of 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is BJPOVHKQRRHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10(2)9-24-15-13(22-3)6-11(7-14(15)23-4)5-12-8-20-17(19)21-16(12)18/h6-8,10H,5,9H2,1-4H3,(H4,18,19,20,21).
What are the key properties of 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 332.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12752257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).