2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C17H22N4 — CID 114739004

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cnc(-c2nc3c(c(C(C)C)n2)CNCC3)c(C)c1
InChIInChI=1S/C17H22N4/c1-10(2)15-13-9-18-6-5-14(13)20-17(21-15)16-12(4)7-11(3)8-19-16/h7-8,10,18H,5-6,9H2,1-4H3
InChIKeyVRHUPRDYROQPNV-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds2

About 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739004) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739004
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cnc(-c2nc3c(c(C(C)C)n2)CNCC3)c(C)c1
InChIInChI=1S/C17H22N4/c1-10(2)15-13-9-18-6-5-14(13)20-17(21-15)16-12(4)7-11(3)8-19-16/h7-8,10,18H,5-6,9H2,1-4H3
InChIKeyVRHUPRDYROQPNV-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine 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-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740752
2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738958
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941265
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912
2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102953176
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
2,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 176926544
2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738924

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739004) is 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1cnc(-c2nc3c(c(C(C)C)n2)CNCC3)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is VRHUPRDYROQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-10(2)15-13-9-18-6-5-14(13)20-17(21-15)16-12(4)7-11(3)8-19-16/h7-8,10,18H,5-6,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).