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

C15H20N4O — CID 739795

IUPAC5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)COc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)9-20-13-5-3-11(4-6-13)7-12-8-18-15(17)19-14(12)16/h3-6,8,10H,7,9H2,1-2H3,(H4,16,17,18,19)
InChIKeyDNDUAVBKKLSDIM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds5

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

5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 739795) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID739795
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)COc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)9-20-13-5-3-11(4-6-13)7-12-8-18-15(17)19-14(12)16/h3-6,8,10H,7,9H2,1-2H3,(H4,16,17,18,19)
InChIKeyDNDUAVBKKLSDIM-UHFFFAOYSA-N
XLogP2.27
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 739795) is 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine is CC(C)COc1ccc(Cc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is DNDUAVBKKLSDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)9-20-13-5-3-11(4-6-13)7-12-8-18-15(17)19-14(12)16/h3-6,8,10H,7,9H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 739795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).