2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

C23H24N4O2 — CID 134807776

IUPAC2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCc3cnc(NCc4ccccc4)nc32)c1
InChIInChI=1S/C23H24N4O2/c1-23(21(28)26-18-9-6-10-19(13-18)29-2)12-11-17-15-25-22(27-20(17)23)24-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyGLIXPJBPLJQPON-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.94
Rot. Bonds6

About 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (PubChem CID 134807776) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
PubChem CID134807776
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCc3cnc(NCc4ccccc4)nc32)c1
InChIInChI=1S/C23H24N4O2/c1-23(21(28)26-18-9-6-10-19(13-18)29-2)12-11-17-15-25-22(27-20(17)23)24-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyGLIXPJBPLJQPON-UHFFFAOYSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134811259
2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide
CID 134807526
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (CID 134807776) is 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is COc1cccc(NC(=O)C2(C)CCc3cnc(NCc4ccccc4)nc32)c1.
What is the InChIKey of 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The InChIKey is GLIXPJBPLJQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-23(21(28)26-18-9-6-10-19(13-18)29-2)12-11-17-15-25-22(27-20(17)23)24-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is sourced from PubChem (CID 134807776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).