2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol

C18H18N4O — CID 135857088

IUPAC2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)23/h3-11,23H,1-2H3,(H2,19,20,21)
InChIKeyYMGYTJBSFNAKGY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds3

About 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol

2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135857088) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol
PubChem CID135857088
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)23/h3-11,23H,1-2H3,(H2,19,20,21)
InChIKeyYMGYTJBSFNAKGY-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol (CID 135857088) is 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol is CN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is YMGYTJBSFNAKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)15-11-20-18(19)21-17(15)14-5-3-4-6-16(14)23/h3-11,23H,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 306.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135857088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).