N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide

C23H25N5O6 — CID 58205233

IUPACN-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide
SMILESCNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H25N5O6/c1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3/h4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32)
InChIKeyDCDBYTXYOIIJSN-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.02
Rot. Bonds9

About N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide

N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide (PubChem CID 58205233) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide
PubChem CID58205233
Molecular FormulaC23H25N5O6
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC NameN-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide
SMILESCNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H25N5O6/c1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3/h4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32)
InChIKeyDCDBYTXYOIIJSN-UHFFFAOYSA-N
XLogP2.02
TPSA154.93 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide?
The IUPAC name of N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide (CID 58205233) is N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide?
The canonical SMILES for N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide is CNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide?
The InChIKey is DCDBYTXYOIIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6/c1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3/h4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32).
What are the key properties of N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide?
N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide has a molecular weight of 467.48 g/mol, XLogP of 2.02, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide is sourced from PubChem (CID 58205233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).