2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol

C18H17N3O — CID 781259

IUPAC2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NCc2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H17N3O/c1-13-11-17(19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)22/h2-11,22H,12H2,1H3,(H,19,20,21)
InChIKeyRWTXTYULNIJWJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.77
Rot. Bonds4

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

2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol (PubChem CID 781259) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol
PubChem CID781259
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NCc2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H17N3O/c1-13-11-17(19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)22/h2-11,22H,12H2,1H3,(H,19,20,21)
InChIKeyRWTXTYULNIJWJI-UHFFFAOYSA-N
XLogP3.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol (CID 781259) is 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol is Cc1cc(NCc2ccccc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is RWTXTYULNIJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-17(19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)22/h2-11,22H,12H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol?
2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 781259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).