4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol

C17H24N4O — CID 13112740

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)C)c1O
InChIInChI=1S/C17H24N4O/c1-9(2)13-6-11(7-14(10(3)4)15(13)22)5-12-8-20-17(19)21-16(12)18/h6-10,22H,5H2,1-4H3,(H4,18,19,20,21)
InChIKeyYZDAHKBHIGEAAB-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.18
Rot. Bonds4

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol (PubChem CID 13112740) 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-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol
PubChem CID13112740
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)C)c1O
InChIInChI=1S/C17H24N4O/c1-9(2)13-6-11(7-14(10(3)4)15(13)22)5-12-8-20-17(19)21-16(12)18/h6-10,22H,5H2,1-4H3,(H4,18,19,20,21)
InChIKeyYZDAHKBHIGEAAB-UHFFFAOYSA-N
XLogP3.18
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.18
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-di(propan-2-yl)phenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol (CID 13112740) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)C)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is YZDAHKBHIGEAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-9(2)13-6-11(7-14(10(3)4)15(13)22)5-12-8-20-17(19)21-16(12)18/h6-10,22H,5H2,1-4H3,(H4,18,19,20,21).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 300.41 g/mol, XLogP of 3.18, 4 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-di(propan-2-yl)phenol is sourced from PubChem (CID 13112740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).