N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide

C23H27N5O2 — CID 51364699

IUPACN-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H27N5O2/c1-15-10-16(2)12-19(11-15)26-23-24-17(3)13-22(30)28(23)14-21(29)25-18-6-8-20(9-7-18)27(4)5/h6-13H,14H2,1-5H3,(H,24,26)(H,25,29)
InChIKeySGKDUVVCCUIKBO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.62
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51364699) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51364699
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H27N5O2/c1-15-10-16(2)12-19(11-15)26-23-24-17(3)13-22(30)28(23)14-21(29)25-18-6-8-20(9-7-18)27(4)5/h6-13H,14H2,1-5H3,(H,24,26)(H,25,29)
InChIKeySGKDUVVCCUIKBO-UHFFFAOYSA-N
XLogP3.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201962
2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide
CID 133269417
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51364699) is N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is SGKDUVVCCUIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-10-16(2)12-19(11-15)26-23-24-17(3)13-22(30)28(23)14-21(29)25-18-6-8-20(9-7-18)27(4)5/h6-13H,14H2,1-5H3,(H,24,26)(H,25,29).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).