6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C18H21N5O2 — CID 99836953

IUPAC6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nn(-c2ccccc2)c(C)c1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H21N5O2/c1-12-17(13(2)23(20-12)14-8-6-5-7-9-14)19-11-15-10-16(24)22(4)18(25)21(15)3/h5-10,19H,11H2,1-4H3
InChIKeyQAFMGLZEKANULX-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.50
Rot. Bonds4

About 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 99836953) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID99836953
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nn(-c2ccccc2)c(C)c1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H21N5O2/c1-12-17(13(2)23(20-12)14-8-6-5-7-9-14)19-11-15-10-16(24)22(4)18(25)21(15)3/h5-10,19H,11H2,1-4H3
InChIKeyQAFMGLZEKANULX-UHFFFAOYSA-N
XLogP1.50
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 66253105
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 37474549
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299

Frequently Asked Questions

What is the IUPAC name of 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 99836953) is 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1nn(-c2ccccc2)c(C)c1NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QAFMGLZEKANULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-17(13(2)23(20-12)14-8-6-5-7-9-14)19-11-15-10-16(24)22(4)18(25)21(15)3/h5-10,19H,11H2,1-4H3.
What are the key properties of 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 99836953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).