N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C24H31N7O — CID 23156269

IUPACN-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCC3=CN=C(C#N)N4CC(C)(C)CN=C34)cc2)CC1
InChIInChI=1S/C24H31N7O/c1-24(2)16-28-22-20(13-26-21(12-25)31(22)17-24)14-27-23(32)19-6-4-18(5-7-19)15-30-10-8-29(3)9-11-30/h4-7,13H,8-11,14-17H2,1-3H3,(H,27,32)
InChIKeyJBMDGNWGYCBWID-UHFFFAOYSA-N
MW433.56 g/mol
LogP1.72
Rot. Bonds5

About N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 23156269) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID23156269
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC NameN-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCC3=CN=C(C#N)N4CC(C)(C)CN=C34)cc2)CC1
InChIInChI=1S/C24H31N7O/c1-24(2)16-28-22-20(13-26-21(12-25)31(22)17-24)14-27-23(32)19-6-4-18(5-7-19)15-30-10-8-29(3)9-11-30/h4-7,13H,8-11,14-17H2,1-3H3,(H,27,32)
InChIKeyJBMDGNWGYCBWID-UHFFFAOYSA-N
XLogP1.72
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
4-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179721
4-methyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030249
N-[2-(6-Hydroxy-2-methylpyrimidin-4-YL)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 136083860
4-(4-Oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
CID 155539033
US11028066, Example 93
CID 129130567
US11390610, Example 28
CID 165414463
4-{[4-(3-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]carbonyl}benzonitrile
CID 53184160
3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783080
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide
CID 11613079
N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide
CID 11635145
[2-[(Z)-[4-[(3S)-3-aminopyrrolidin-1-yl]-5-methyl-1-(methylideneamino)pyrimidin-2-ylidene]methyl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 121297236

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 23156269) is N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)NCC3=CN=C(C#N)N4CC(C)(C)CN=C34)cc2)CC1.
What is the InChIKey of N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is JBMDGNWGYCBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-24(2)16-28-22-20(13-26-21(12-25)31(22)17-24)14-27-23(32)19-6-4-18(5-7-19)15-30-10-8-29(3)9-11-30/h4-7,13H,8-11,14-17H2,1-3H3,(H,27,32).
What are the key properties of N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 433.56 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyano-3,3-dimethyl-2,4-dihydropyrimido[1,2-c]pyrimidin-9-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 23156269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).