1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C19H27N5O — CID 135098870

IUPAC1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1noc(C)c1CN1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C19H27N5O/c1-13-16(14(2)25-22-13)11-24-9-5-7-19(12-24)8-6-15-10-20-18(23(3)4)21-17(15)19/h10H,5-9,11-12H2,1-4H3
InChIKeyHZJBDYHHGOGZCG-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.63
Rot. Bonds3

About 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135098870) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135098870
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1noc(C)c1CN1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C19H27N5O/c1-13-16(14(2)25-22-13)11-24-9-5-7-19(12-24)8-6-15-10-20-18(23(3)4)21-17(15)19/h10H,5-9,11-12H2,1-4H3
InChIKeyHZJBDYHHGOGZCG-UHFFFAOYSA-N
XLogP2.63
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 135120195
N,N-dimethyl-1'-(2-morpholin-4-ylethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112937
N,N-dimethyl-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135107490
N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135105005
N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 163319351
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid
CID 135088105
1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135095110
6-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]pyridine-2-carboxylic acid
CID 135091937
1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112042
1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135099027
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid
CID 135098208
N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135106083

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135098870) is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is Cc1noc(C)c1CN1CCCC2(CCc3cnc(N(C)C)nc32)C1.
What is the InChIKey of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is HZJBDYHHGOGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-16(14(2)25-22-13)11-24-9-5-7-19(12-24)8-6-15-10-20-18(23(3)4)21-17(15)19/h10H,5-9,11-12H2,1-4H3.
What are the key properties of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 341.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135098870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).