2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

C20H25N5O2 — CID 163307620

IUPAC2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(C)c1
InChIInChI=1S/C20H25N5O2/c1-13-10-15(27-2)4-5-16(13)23-19(26)25-9-3-7-20(12-25)8-6-14-11-22-18(21)24-17(14)20/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,26)(H2,21,22,24)
InChIKeyXMCZBNJXOBWRCT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide (PubChem CID 163307620) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
PubChem CID163307620
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(C)c1
InChIInChI=1S/C20H25N5O2/c1-13-10-15(27-2)4-5-16(13)23-19(26)25-9-3-7-20(12-25)8-6-14-11-22-18(21)24-17(14)20/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,26)(H2,21,22,24)
InChIKeyXMCZBNJXOBWRCT-UHFFFAOYSA-N
XLogP2.89
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-chloro-2-methoxyphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 135119258
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
CID 176506405
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-cyclopentylethanone
CID 135102067
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-chlorothiophen-2-yl)methanone
CID 135087346
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone
CID 163315199
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-benzofuran-2-yl)methanone
CID 163315881
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
CID 163318690
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide (CID 163307620) is 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(C)c1.
What is the InChIKey of 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The InChIKey is XMCZBNJXOBWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-10-15(27-2)4-5-16(13)23-19(26)25-9-3-7-20(12-25)8-6-14-11-22-18(21)24-17(14)20/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,26)(H2,21,22,24).
What are the key properties of 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 163307620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).