2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H26N8O2 — CID 135719840

IUPAC2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1nnnn1CCc1ccccc1)CC2
InChIInChI=1S/C21H26N8O2/c30-20-17-14-27(8-7-18(17)22-21(23-20)28-10-12-31-13-11-28)15-19-24-25-26-29(19)9-6-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,23,30)
InChIKeyKFBIHEJAYMAALX-UHFFFAOYSA-N
MW422.49 g/mol
LogP0.39
Rot. Bonds6

About 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135719840) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135719840
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1nnnn1CCc1ccccc1)CC2
InChIInChI=1S/C21H26N8O2/c30-20-17-14-27(8-7-18(17)22-21(23-20)28-10-12-31-13-11-28)15-19-24-25-26-29(19)9-6-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,23,30)
InChIKeyKFBIHEJAYMAALX-UHFFFAOYSA-N
XLogP0.39
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719836
2-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 858122
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]azepane
CID 1454749
2-morpholin-4-yl-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719804
2-[(3S)-3-methylpiperidin-1-yl]-6-[(4-morpholin-4-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136819821
2-benzylsulfanyl-6-(2-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137316890
1-(4-methoxyphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449048
6-(2-phenylethyl)-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137309732
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
7-(3-methylbutyl)-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136880722

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135719840) is 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1nnnn1CCc1ccccc1)CC2.
What is the InChIKey of 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KFBIHEJAYMAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c30-20-17-14-27(8-7-18(17)22-21(23-20)28-10-12-31-13-11-28)15-19-24-25-26-29(19)9-6-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,23,30).
What are the key properties of 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 422.49 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135719840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).