2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine

C19H22N6O — CID 166122367

IUPAC2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
SMILESCc1nc2cnc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C19H22N6O/c1-11-12(2)23-19-16(22-11)9-20-18(24-19)13-5-6-26-17(7-13)14-8-21-25(10-14)15-3-4-15/h8-10,13,15,17H,3-7H2,1-2H3/t13?,17-/m1/s1
InChIKeyZXTKCQUFYQCELM-LRHAYUFXSA-N
MW350.43 g/mol
LogP3.20
Rot. Bonds3

About 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine

2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine (PubChem CID 166122367) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
PubChem CID166122367
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
SMILESCc1nc2cnc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C19H22N6O/c1-11-12(2)23-19-16(22-11)9-20-18(24-19)13-5-6-26-17(7-13)14-8-21-25(10-14)15-3-4-15/h8-10,13,15,17H,3-7H2,1-2H3/t13?,17-/m1/s1
InChIKeyZXTKCQUFYQCELM-LRHAYUFXSA-N
XLogP3.20
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine;trifluoromethylcyclobutane
CID 166122825
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
CID 166123288
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pteridine
CID 166123081
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine
CID 166123349
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridine
CID 166121829
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridine
CID 166123351
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044785
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine?
The IUPAC name of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine (CID 166122367) is 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine.
What is the SMILES notation for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine?
The canonical SMILES for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine is Cc1nc2cnc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C.
What is the InChIKey of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine?
The InChIKey is ZXTKCQUFYQCELM-LRHAYUFXSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11-12(2)23-19-16(22-11)9-20-18(24-19)13-5-6-26-17(7-13)14-8-21-25(10-14)15-3-4-15/h8-10,13,15,17H,3-7H2,1-2H3/t13?,17-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine?
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine has a molecular weight of 350.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine is sourced from PubChem (CID 166122367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).