4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol

C14H18N4O — CID 67949001

IUPAC4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol
SMILESCCCc1cc(Nc2ccc(O)cc2C)nc(N)n1
InChIInChI=1S/C14H18N4O/c1-3-4-10-8-13(18-14(15)16-10)17-12-6-5-11(19)7-9(12)2/h5-8,19H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyYXLLMFUCDVDDBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds4

About 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol

4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol (PubChem CID 67949001) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol
PubChem CID67949001
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol
SMILESCCCc1cc(Nc2ccc(O)cc2C)nc(N)n1
InChIInChI=1S/C14H18N4O/c1-3-4-10-8-13(18-14(15)16-10)17-12-6-5-11(19)7-9(12)2/h5-8,19H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyYXLLMFUCDVDDBL-UHFFFAOYSA-N
XLogP2.77
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol?
The IUPAC name of 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol (CID 67949001) is 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol?
The canonical SMILES for 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol is CCCc1cc(Nc2ccc(O)cc2C)nc(N)n1.
What is the InChIKey of 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol?
The InChIKey is YXLLMFUCDVDDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-4-10-8-13(18-14(15)16-10)17-12-6-5-11(19)7-9(12)2/h5-8,19H,3-4H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol?
4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol has a molecular weight of 258.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol is sourced from PubChem (CID 67949001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).