[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H20N6O — CID 124941950

IUPAC[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C15H20N6O/c1-10-7-12(16)19-14(18-10)15(2)5-4-6-21(15)13(22)11-8-17-20(3)9-11/h7-9H,4-6H2,1-3H3,(H2,16,18,19)/t15-/m0/s1
InChIKeyARAPFYLBKDHTCS-HNNXBMFYSA-N
MW300.37 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 124941950) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID124941950
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C15H20N6O/c1-10-7-12(16)19-14(18-10)15(2)5-4-6-21(15)13(22)11-8-17-20(3)9-11/h7-9H,4-6H2,1-3H3,(H2,16,18,19)/t15-/m0/s1
InChIKeyARAPFYLBKDHTCS-HNNXBMFYSA-N
XLogP1.25
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 124941950) is [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cnn(C)c2)n1.
What is the InChIKey of [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ARAPFYLBKDHTCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-7-12(16)19-14(18-10)15(2)5-4-6-21(15)13(22)11-8-17-20(3)9-11/h7-9H,4-6H2,1-3H3,(H2,16,18,19)/t15-/m0/s1.
What are the key properties of [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 124941950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).