1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine

C18H27N7O — CID 176503652

IUPAC1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
SMILESCCc1nc(N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n(C)n1
InChIInChI=1S/C18H27N7O/c1-5-14-20-17(24(4)22-14)25-9-7-18(8-10-25)15-13(6-11-26-18)12-19-16(21-15)23(2)3/h12H,5-11H2,1-4H3
InChIKeyDPWAGPWADCNGBZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.30
Rot. Bonds3

About 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine

1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine (PubChem CID 176503652) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
PubChem CID176503652
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
SMILESCCc1nc(N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n(C)n1
InChIInChI=1S/C18H27N7O/c1-5-14-20-17(24(4)22-14)25-9-7-18(8-10-25)15-13(6-11-26-18)12-19-16(21-15)23(2)3/h12H,5-11H2,1-4H3
InChIKeyDPWAGPWADCNGBZ-UHFFFAOYSA-N
XLogP1.30
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine with MolForge

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Related Compounds

1'-(2-Methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118745394
2-Methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
CID 92565549
Cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 92565550
2-Methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride
CID 118741691
(8R)-2-(4,4-difluoropiperidin-1-yl)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 124242677
(8S)-2-(4,4-difluoropiperidin-1-yl)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 124242678
2-(4,4-Difluoropiperidin-1-yl)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131660417
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-N,N-dimethyl-5',6'-dihydrospiro[piperidine-4,8'-pyrano[3,4-d]pyrimidin]-2'-amine
CID 176493353
1-[4-(Dimethylamino)-5-fluoro-2-pyrimidinyl]-5',6'-dihydrospiro[piperidine-4,8'-pyrano[3,4-d]pyrimidin]-2'-amine
CID 176498630
1-(6-Ethyl-5-fluoro-4-pyrimidinyl)-2'-methyl-5',6'-dihydrospiro[piperidine-4,8'-pyrano[3,4-d]pyrimidine]
CID 176499338
N,N-dimethyl-1'-[6-(trifluoromethyl)pyrimidin-4-yl]spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
CID 177874438
1'-(3,3,3-Trifluoropropyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
CID 177876006

Frequently Asked Questions

What is the IUPAC name of 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine?
The IUPAC name of 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine (CID 176503652) is 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine.
What is the SMILES notation for 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine?
The canonical SMILES for 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine is CCc1nc(N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n(C)n1.
What is the InChIKey of 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine?
The InChIKey is DPWAGPWADCNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-5-14-20-17(24(4)22-14)25-9-7-18(8-10-25)15-13(6-11-26-18)12-19-16(21-15)23(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine?
1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine has a molecular weight of 357.46 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine is sourced from PubChem (CID 176503652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).