4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C18H21N3 — CID 114742288

IUPAC4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CCc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C18H21N3/c1-12-16-8-9-19-11-17(16)21-18(20-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,15,19H,6-11H2,1H3
InChIKeyHWYYMASMIRVWEC-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.70
Rot. Bonds1

About 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742288) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742288
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CCc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C18H21N3/c1-12-16-8-9-19-11-17(16)21-18(20-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,15,19H,6-11H2,1H3
InChIKeyHWYYMASMIRVWEC-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-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-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941472
4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742289
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192959
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
CID 65404283
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 65408038
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742521
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
2-piperidin-4-yl-6-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine
CID 162737704
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742288) is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(C2CCc3ccccc3C2)nc2c1CCNC2.
What is the InChIKey of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is HWYYMASMIRVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-16-8-9-19-11-17(16)21-18(20-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,15,19H,6-11H2,1H3.
What are the key properties of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 279.39 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).