4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol

C17H24N4O — CID 13112738

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
InChIInChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
InChIKeyWDRBPLXHBTYNRP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.84
Rot. Bonds6

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol (PubChem CID 13112738) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol
PubChem CID13112738
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
InChIInChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
InChIKeyWDRBPLXHBTYNRP-UHFFFAOYSA-N
XLogP2.84
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol (CID 13112738) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol is CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol?
The InChIKey is WDRBPLXHBTYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol has a molecular weight of 300.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dipropylphenol is sourced from PubChem (CID 13112738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).