6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile

C16H17N5O — CID 142340824

IUPAC6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
SMILESCOc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3
InChIKeyURSZLYVLYSDKKR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.18
Rot. Bonds2

About 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile

6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile (PubChem CID 142340824) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
PubChem CID142340824
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
SMILESCOc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3
InChIKeyURSZLYVLYSDKKR-UHFFFAOYSA-N
XLogP2.18
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142340822
(5S)-6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122681023
4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 142340826
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
5-methoxypyrimidine-2-carbonitrile
CID 3715049
6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 145427356
4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one
CID 142340816
7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide
CID 122669745
4-fluoro-N,N-dimethyl-6-[(5R)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-2-amine
CID 122681038
2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 145427351
4-[6-(4,6-difluoro-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 139461644
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile (CID 142340824) is 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile is COc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1.
What is the InChIKey of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The InChIKey is URSZLYVLYSDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 142340824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).