2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C18H22N6O2 — CID 155497945

IUPAC2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1ncnc(C)c1C(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1
InChIInChI=1S/C18H22N6O2/c1-10-13(11(2)21-9-20-10)16(26)24-7-5-18(6-8-24)4-3-12-14(18)22-17(19)23-15(12)25/h9H,3-8H2,1-2H3,(H3,19,22,23,25)
InChIKeyBORZTKZOBLSHJP-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155497945) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155497945
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1ncnc(C)c1C(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1
InChIInChI=1S/C18H22N6O2/c1-10-13(11(2)21-9-20-10)16(26)24-7-5-18(6-8-24)4-3-12-14(18)22-17(19)23-15(12)25/h9H,3-8H2,1-2H3,(H3,19,22,23,25)
InChIKeyBORZTKZOBLSHJP-UHFFFAOYSA-N
XLogP0.88
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155497945) is 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cc1ncnc(C)c1C(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1.
What is the InChIKey of 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is BORZTKZOBLSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10-13(11(2)21-9-20-10)16(26)24-7-5-18(6-8-24)4-3-12-14(18)22-17(19)23-15(12)25/h9H,3-8H2,1-2H3,(H3,19,22,23,25).
What are the key properties of 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 354.41 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-(4,6-dimethylpyrimidine-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155497945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).