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

C17H26N8O2 — CID 135719836

IUPAC6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)n1nnnc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C17H26N8O2/c1-17(2,3)25-14(20-21-22-25)11-23-5-4-13-12(10-23)15(26)19-16(18-13)24-6-8-27-9-7-24/h4-11H2,1-3H3,(H,18,19,26)
InChIKeyLLJNUFFEZHQRDA-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.09
Rot. Bonds3

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

6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135719836) has the molecular formula C17H26N8O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135719836
Molecular FormulaC17H26N8O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)n1nnnc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C17H26N8O2/c1-17(2,3)25-14(20-21-22-25)11-23-5-4-13-12(10-23)15(26)19-16(18-13)24-6-8-27-9-7-24/h4-11H2,1-3H3,(H,18,19,26)
InChIKeyLLJNUFFEZHQRDA-UHFFFAOYSA-N
XLogP-0.09
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-(3-methylbutyl)-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136880722
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
6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944079
7-[(5-methylthiophen-3-yl)methyl]-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136816267
2-morpholin-4-yl-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719804
7-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136735468
6-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135880386
2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135578157
6-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919298
7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one
CID 137185703
2-amino-6-[(4-tert-butylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920126

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135719836) is 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)(C)n1nnnc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LLJNUFFEZHQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O2/c1-17(2,3)25-14(20-21-22-25)11-23-5-4-13-12(10-23)15(26)19-16(18-13)24-6-8-27-9-7-24/h4-11H2,1-3H3,(H,18,19,26).
What are the key properties of 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 374.45 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butyltetrazol-5-yl)methyl]-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135719836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).