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

C25H30N6 — CID 135120145

IUPAC5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cn1
InChIInChI=1S/C25H30N6/c1-18(2)29-24-27-13-19(14-28-24)16-31-12-6-10-25(17-31)11-9-21-15-26-23(30-22(21)25)20-7-4-3-5-8-20/h3-5,7-8,13-15,18H,6,9-12,16-17H2,1-2H3,(H,27,28,29)
InChIKeyDNVJDEICGXSWKW-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.23
Rot. Bonds5

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

5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 135120145) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID135120145
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cn1
InChIInChI=1S/C25H30N6/c1-18(2)29-24-27-13-19(14-28-24)16-31-12-6-10-25(17-31)11-9-21-15-26-23(30-22(21)25)20-7-4-3-5-8-20/h3-5,7-8,13-15,18H,6,9-12,16-17H2,1-2H3,(H,27,28,29)
InChIKeyDNVJDEICGXSWKW-UHFFFAOYSA-N
XLogP4.23
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
1'-(2-imidazol-1-ylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135096180
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
CID 164696893
5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 135102953
5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
CID 135109701
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135105005

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine (CID 135120145) is 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cn1.
What is the InChIKey of 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is DNVJDEICGXSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-18(2)29-24-27-13-19(14-28-24)16-31-12-6-10-25(17-31)11-9-21-15-26-23(30-22(21)25)20-7-4-3-5-8-20/h3-5,7-8,13-15,18H,6,9-12,16-17H2,1-2H3,(H,27,28,29).
What are the key properties of 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine?
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 414.56 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 135120145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).