N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide

C20H17N3O2 — CID 670758

IUPACN-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C20H17N3O2/c1-12-11-13(2)22-20(21-12)23-19(24)18-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)18/h3-11,18H,1-2H3,(H,21,22,23,24)
InChIKeyXKNKEFLKTSAPSZ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.97
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 670758) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide
PubChem CID670758
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C20H17N3O2/c1-12-11-13(2)22-20(21-12)23-19(24)18-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)18/h3-11,18H,1-2H3,(H,21,22,23,24)
InChIKeyXKNKEFLKTSAPSZ-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
CID 1221732
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
CID 135547802
N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)acetamide
CID 50940959
N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)propionamide
CID 50940973
N-2,6-bis2-fluorophenyl)pyrimidin-4-yl)butyramide
CID 50940988
N-(2,6-bis(4-methoxyphenyl)pyrimidin-4-yl)-2-ethylbutanamide
CID 50941010
N-(2,6-bis(4-methoxyphenyl)pyrimidin-4-yl)cyclohexanecarboxamide
CID 50941011
4-[[[4-(Benzylamino)-6-(3-methoxyphenyl)pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724805
4-[[[4-(Benzylamino)-6-(4-ethoxyphenyl)pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724813
2-(2-methoxyphenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 743793
N-pyrimidin-2-yl-9H-xanthene-9-carboxamide
CID 709846
N-(pyridin-2-yl)-9H-xanthene-9-carboxamide
CID 775428

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide (CID 670758) is N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide is Cc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is XKNKEFLKTSAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-11-13(2)22-20(21-12)23-19(24)18-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)18/h3-11,18H,1-2H3,(H,21,22,23,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 670758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).