2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

C22H29N5O2 — CID 134811121

IUPAC2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)CCc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H29N5O2/c1-22(20(28)23-9-10-27-11-13-29-14-12-27)8-7-18-16-25-21(26-19(18)22)24-15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyGVERFVRKOCGOMA-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.74
Rot. Bonds7

About 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (PubChem CID 134811121) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
PubChem CID134811121
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)CCc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H29N5O2/c1-22(20(28)23-9-10-27-11-13-29-14-12-27)8-7-18-16-25-21(26-19(18)22)24-15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyGVERFVRKOCGOMA-UHFFFAOYSA-N
XLogP1.74
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
5-[(4-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277474
6-[(4-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154112
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
N-(2-morpholin-4-ylethyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109277480
3-[2-(benzylamino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 57413712
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (CID 134811121) is 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is CC1(C(=O)NCCN2CCOCC2)CCc2cnc(NCc3ccccc3)nc21.
What is the InChIKey of 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The InChIKey is GVERFVRKOCGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(20(28)23-9-10-27-11-13-29-14-12-27)8-7-18-16-25-21(26-19(18)22)24-15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is sourced from PubChem (CID 134811121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).