N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

C23H26N4O5 — CID 135601823

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccc(CN(C)C)cc3)[nH]c(=O)c2O)c1OC
InChIInChI=1S/C23H26N4O5/c1-27(2)13-14-8-10-15(11-9-14)21-25-18(19(28)23(30)26-21)22(29)24-12-16-6-5-7-17(31-3)20(16)32-4/h5-11,28H,12-13H2,1-4H3,(H,24,29)(H,25,26,30)
InChIKeyMHZHAIHWDUDEDW-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.15
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135601823) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135601823
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccc(CN(C)C)cc3)[nH]c(=O)c2O)c1OC
InChIInChI=1S/C23H26N4O5/c1-27(2)13-14-8-10-15(11-9-14)21-25-18(19(28)23(30)26-21)22(29)24-12-16-6-5-7-17(31-3)20(16)32-4/h5-11,28H,12-13H2,1-4H3,(H,24,29)(H,25,26,30)
InChIKeyMHZHAIHWDUDEDW-UHFFFAOYSA-N
XLogP2.15
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-4-carboxamide
CID 135971582
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide
CID 135601828
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601847
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-2-[(4-methylpiperazin-1-yl)-phenylmethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601842
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601617
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 135601823) is N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2nc(-c3ccc(CN(C)C)cc3)[nH]c(=O)c2O)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is MHZHAIHWDUDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-27(2)13-14-8-10-15(11-9-14)21-25-18(19(28)23(30)26-21)22(29)24-12-16-6-5-7-17(31-3)20(16)32-4/h5-11,28H,12-13H2,1-4H3,(H,24,29)(H,25,26,30).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).