4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine

C16H20N4 — CID 98772391

IUPAC4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine
SMILESCc1cc(N2C[C@@H](C)C[C@H]2C)nc(-c2ccncc2)n1
InChIInChI=1S/C16H20N4/c1-11-8-13(3)20(10-11)15-9-12(2)18-16(19-15)14-4-6-17-7-5-14/h4-7,9,11,13H,8,10H2,1-3H3/t11-,13+/m0/s1
InChIKeyGZRCCFNWQMFIGU-WCQYABFASA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds2

About 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine

4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine (PubChem CID 98772391) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine
PubChem CID98772391
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine
SMILESCc1cc(N2C[C@@H](C)C[C@H]2C)nc(-c2ccncc2)n1
InChIInChI=1S/C16H20N4/c1-11-8-13(3)20(10-11)15-9-12(2)18-16(19-15)14-4-6-17-7-5-14/h4-7,9,11,13H,8,10H2,1-3H3/t11-,13+/m0/s1
InChIKeyGZRCCFNWQMFIGU-WCQYABFASA-N
XLogP3.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine (CID 98772391) is 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine is Cc1cc(N2C[C@@H](C)C[C@H]2C)nc(-c2ccncc2)n1.
What is the InChIKey of 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine?
The InChIKey is GZRCCFNWQMFIGU-WCQYABFASA-N. The full InChI is InChI=1S/C16H20N4/c1-11-8-13(3)20(10-11)15-9-12(2)18-16(19-15)14-4-6-17-7-5-14/h4-7,9,11,13H,8,10H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine?
4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine has a molecular weight of 268.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 98772391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).