2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol

C18H17N3O — CID 135960785

IUPAC2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCNc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H17N3O/c1-12-20-11-16(13-7-9-14(19-2)10-8-13)18(21-12)15-5-3-4-6-17(15)22/h3-11,19,22H,1-2H3
InChIKeyHWMGLYKFVDWPDN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.87
Rot. Bonds3

About 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol

2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960785) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960785
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCNc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H17N3O/c1-12-20-11-16(13-7-9-14(19-2)10-8-13)18(21-12)15-5-3-4-6-17(15)22/h3-11,19,22H,1-2H3
InChIKeyHWMGLYKFVDWPDN-UHFFFAOYSA-N
XLogP3.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-Hydroxyphenyl)pyrimidin-2-yl]phenol
CID 621973
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8f
CID 6539310
5-({2-[(3-Bromophenyl)amino]pyrimidin-4-yl}amino)-2-methylphenol
CID 24949698
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-Aminoquinazoline 24
CID 135402985
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2,4-Bisanilinopyrimidine, 27
CID 44224083
2,4-Bisanilinopyrimidine, 34
CID 44224089
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol (CID 135960785) is 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol is CNc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is HWMGLYKFVDWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-20-11-16(13-7-9-14(19-2)10-8-13)18(21-12)15-5-3-4-6-17(15)22/h3-11,19,22H,1-2H3.
What are the key properties of 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).