2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine

C18H20N6 — CID 74249003

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine
SMILESCc1cc(C)n(C2CCN(c3nccc(-c4ccccn4)n3)C2)n1
InChIInChI=1S/C18H20N6/c1-13-11-14(2)24(22-13)15-7-10-23(12-15)18-20-9-6-17(21-18)16-5-3-4-8-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3
InChIKeyWANYFMQMBLHOBB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.80
Rot. Bonds3

About 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine

2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine (PubChem CID 74249003) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine
PubChem CID74249003
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine
SMILESCc1cc(C)n(C2CCN(c3nccc(-c4ccccn4)n3)C2)n1
InChIInChI=1S/C18H20N6/c1-13-11-14(2)24(22-13)15-7-10-23(12-15)18-20-9-6-17(21-18)16-5-3-4-8-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3
InChIKeyWANYFMQMBLHOBB-UHFFFAOYSA-N
XLogP2.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine (CID 74249003) is 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine is Cc1cc(C)n(C2CCN(c3nccc(-c4ccccn4)n3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine?
The InChIKey is WANYFMQMBLHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-11-14(2)24(22-13)15-7-10-23(12-15)18-20-9-6-17(21-18)16-5-3-4-8-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine?
2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 74249003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).