4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

C20H26N6OS — CID 24911495

IUPAC4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1nc(N2CCOCC2)sc1CN1CCc2nc(C3=NCCCC3)ncc2C1
InChIInChI=1S/C20H26N6OS/c1-2-5-21-18(3-1)19-22-11-15-13-25(6-4-17(15)24-19)14-16-12-23-20(28-16)26-7-9-27-10-8-26/h11-12H,1-10,13-14H2
InChIKeyDPPFYLIBAKFXNO-UHFFFAOYSA-N
MW398.54 g/mol
LogP2.30
Rot. Bonds4

About 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 24911495) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID24911495
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1nc(N2CCOCC2)sc1CN1CCc2nc(C3=NCCCC3)ncc2C1
InChIInChI=1S/C20H26N6OS/c1-2-5-21-18(3-1)19-22-11-15-13-25(6-4-17(15)24-19)14-16-12-23-20(28-16)26-7-9-27-10-8-26/h11-12H,1-10,13-14H2
InChIKeyDPPFYLIBAKFXNO-UHFFFAOYSA-N
XLogP2.30
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine with MolForge

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Related Compounds

4-[5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24911508
5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
CID 24912125
6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916472
6-[(5-iodofuran-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910130
6-(1H-imidazol-2-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908663
6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911180
6-[(3-bromo-1-benzothiophen-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910949
6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915716
6-[(1-phenylpyrazol-4-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912230
6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911684
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 24911495) is 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is c1nc(N2CCOCC2)sc1CN1CCc2nc(C3=NCCCC3)ncc2C1.
What is the InChIKey of 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is DPPFYLIBAKFXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-2-5-21-18(3-1)19-22-11-15-13-25(6-4-17(15)24-19)14-16-12-23-20(28-16)26-7-9-27-10-8-26/h11-12H,1-10,13-14H2.
What are the key properties of 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 398.54 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 24911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).