[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol

C18H18N4O — CID 155524066

IUPAC[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol
SMILESNc1cc(-c2ccccc2CO)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H18N4O/c19-17-10-16(15-9-5-4-8-14(15)12-23)21-18(22-17)20-11-13-6-2-1-3-7-13/h1-10,23H,11-12H2,(H3,19,20,21,22)
InChIKeyBXPCOUFFGLPFEM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.83
Rot. Bonds5

About [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol

[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol (PubChem CID 155524066) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol
PubChem CID155524066
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol
SMILESNc1cc(-c2ccccc2CO)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H18N4O/c19-17-10-16(15-9-5-4-8-14(15)12-23)21-18(22-17)20-11-13-6-2-1-3-7-13/h1-10,23H,11-12H2,(H3,19,20,21,22)
InChIKeyBXPCOUFFGLPFEM-UHFFFAOYSA-N
XLogP2.83
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol (CID 155524066) is [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol is Nc1cc(-c2ccccc2CO)nc(NCc2ccccc2)n1.
What is the InChIKey of [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol?
The InChIKey is BXPCOUFFGLPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-17-10-16(15-9-5-4-8-14(15)12-23)21-18(22-17)20-11-13-6-2-1-3-7-13/h1-10,23H,11-12H2,(H3,19,20,21,22).
What are the key properties of [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol?
[2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol has a molecular weight of 306.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 155524066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).