4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

C13H17N5O — CID 95314796

IUPAC4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C13H17N5O/c1-17-9-10(8-15-17)11-4-3-7-18(11)13-14-6-5-12(16-13)19-2/h5-6,8-9,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyMSTMVROJTOCKDB-NSHDSACASA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds3

About 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 95314796) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID95314796
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C13H17N5O/c1-17-9-10(8-15-17)11-4-3-7-18(11)13-14-6-5-12(16-13)19-2/h5-6,8-9,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyMSTMVROJTOCKDB-NSHDSACASA-N
XLogP1.56
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (CID 95314796) is 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is COc1ccnc(N2CCC[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is MSTMVROJTOCKDB-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-9-10(8-15-17)11-4-3-7-18(11)13-14-6-5-12(16-13)19-2/h5-6,8-9,11H,3-4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95314796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).