2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol

C14H18N4O — CID 659579

IUPAC2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NCCCN)nc(-c2ccccc2O)n1
InChIInChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,19H,4,7-8,15H2,1H3,(H,16,17,18)
InChIKeyQAFMCTGHOXUNPP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.92
Rot. Bonds5

About 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol

2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol (PubChem CID 659579) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol
PubChem CID659579
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NCCCN)nc(-c2ccccc2O)n1
InChIInChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,19H,4,7-8,15H2,1H3,(H,16,17,18)
InChIKeyQAFMCTGHOXUNPP-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol (CID 659579) is 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol is Cc1cc(NCCCN)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is QAFMCTGHOXUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,19H,4,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol?
2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 258.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 659579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).