N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C23H33N7 — CID 135105005

IUPACN,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)CC2
InChIInChI=1S/C23H33N7/c1-28(2)22-26-15-19-7-9-23(20(19)27-22)8-6-10-29(17-23)16-18-13-24-21(25-14-18)30-11-4-3-5-12-30/h13-15H,3-12,16-17H2,1-2H3
InChIKeyVRIYKYCRKYQSFA-UHFFFAOYSA-N
MW407.57 g/mol
LogP2.80
Rot. Bonds4

About N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135105005) has the molecular formula C23H33N7 and a molecular weight of 407.57 g/mol. Its IUPAC name is N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135105005
Molecular FormulaC23H33N7
Molecular Weight407.57 g/mol
Exact Mass407.28
IUPAC NameN,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)CC2
InChIInChI=1S/C23H33N7/c1-28(2)22-26-15-19-7-9-23(20(19)27-22)8-6-10-29(17-23)16-18-13-24-21(25-14-18)30-11-4-3-5-12-30/h13-15H,3-12,16-17H2,1-2H3
InChIKeyVRIYKYCRKYQSFA-UHFFFAOYSA-N
XLogP2.80
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-2-methoxybenzoic acid
CID 163310429
6-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]pyridine-2-carboxylic acid
CID 135091937
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
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
1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112042

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135105005) is N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is CN(C)c1ncc2c(n1)C1(CCCN(Cc3cnc(N4CCCCC4)nc3)C1)CC2.
What is the InChIKey of N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is VRIYKYCRKYQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7/c1-28(2)22-26-15-19-7-9-23(20(19)27-22)8-6-10-29(17-23)16-18-13-24-21(25-14-18)30-11-4-3-5-12-30/h13-15H,3-12,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 407.57 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).