6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H25N3O — CID 24928336

IUPAC6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cccc(OCN2CCc3nc(C(C)C)ncc3C2)c1C
InChIInChI=1S/C19H25N3O/c1-13(2)19-20-10-16-11-22(9-8-17(16)21-19)12-23-18-7-5-6-14(3)15(18)4/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeySVMWLILEGBCNLQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.61
Rot. Bonds4

About 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928336) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928336
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cccc(OCN2CCc3nc(C(C)C)ncc3C2)c1C
InChIInChI=1S/C19H25N3O/c1-13(2)19-20-10-16-11-22(9-8-17(16)21-19)12-23-18-7-5-6-14(3)15(18)4/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeySVMWLILEGBCNLQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928819
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909790
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910273
6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915460
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915166
5-methyl-4-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,3-diol
CID 24928567
2-propan-2-yl-6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915964
6-[(2,5-diethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928735

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928336) is 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cccc(OCN2CCc3nc(C(C)C)ncc3C2)c1C.
What is the InChIKey of 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SVMWLILEGBCNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)19-20-10-16-11-22(9-8-17(16)21-19)12-23-18-7-5-6-14(3)15(18)4/h5-7,10,13H,8-9,11-12H2,1-4H3.
What are the key properties of 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 311.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).