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

C18H24N6 — CID 135106083

IUPACN,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1nccc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)n1
InChIInChI=1S/C18H24N6/c1-13-19-9-6-15(21-13)24-10-4-7-18(12-24)8-5-14-11-20-17(23(2)3)22-16(14)18/h6,9,11H,4-5,7-8,10,12H2,1-3H3
InChIKeyZRRXJGGPSNOZGK-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.13
Rot. Bonds2

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

N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135106083) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135106083
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1nccc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)n1
InChIInChI=1S/C18H24N6/c1-13-19-9-6-15(21-13)24-10-4-7-18(12-24)8-5-14-11-20-17(23(2)3)22-16(14)18/h6,9,11H,4-5,7-8,10,12H2,1-3H3
InChIKeyZRRXJGGPSNOZGK-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135106083) is N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is Cc1nccc(N2CCCC3(CCc4cnc(N(C)C)nc43)C2)n1.
What is the InChIKey of N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is ZRRXJGGPSNOZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-19-9-6-15(21-13)24-10-4-7-18(12-24)8-5-14-11-20-17(23(2)3)22-16(14)18/h6,9,11H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 324.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135106083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).