[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

C21H27N5O2 — CID 176501193

IUPAC[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCN(C(=O)c3cncc(CCCN)c3)CC1)OCC2
InChIInChI=1S/C21H27N5O2/c1-15-24-14-17-4-10-28-21(19(17)25-15)5-8-26(9-6-21)20(27)18-11-16(3-2-7-22)12-23-13-18/h11-14H,2-10,22H2,1H3
InChIKeyQBBYUAUFYHMVIL-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.78
Rot. Bonds4

About [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (PubChem CID 176501193) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
PubChem CID176501193
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCN(C(=O)c3cncc(CCCN)c3)CC1)OCC2
InChIInChI=1S/C21H27N5O2/c1-15-24-14-17-4-10-28-21(19(17)25-15)5-8-26(9-6-21)20(27)18-11-16(3-2-7-22)12-23-13-18/h11-14H,2-10,22H2,1H3
InChIKeyQBBYUAUFYHMVIL-UHFFFAOYSA-N
XLogP1.78
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)butan-1-one
CID 110213856
3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
CID 176502683
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501187
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(6-methyl-3-pyridinyl)methanone
CID 135097369
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505816
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(5-methylpyrazin-2-yl)methanone
CID 135092114
3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
CID 176503659
[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 176501264
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-2-(3-methoxyphenyl)sulfanylethanone
CID 176505685

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (CID 176501193) is [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is Cc1ncc2c(n1)C1(CCN(C(=O)c3cncc(CCCN)c3)CC1)OCC2.
What is the InChIKey of [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The InChIKey is QBBYUAUFYHMVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-24-14-17-4-10-28-21(19(17)25-15)5-8-26(9-6-21)20(27)18-11-16(3-2-7-22)12-23-13-18/h11-14H,2-10,22H2,1H3.
What are the key properties of [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 176501193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).