3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C16H23N5O2 — CID 124906909

IUPAC3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)n([C@@H]2CCN(CCn3c(=O)cc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-9-15(22)20(16(23)17-11)7-6-19-5-4-14(10-19)21-13(3)8-12(2)18-21/h8-9,14H,4-7,10H2,1-3H3,(H,17,23)/t14-/m1/s1
InChIKeyIILJNJLZUZNNNP-CQSZACIVSA-N
MW317.39 g/mol
LogP0.61
Rot. Bonds4

About 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 124906909) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID124906909
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)n([C@@H]2CCN(CCn3c(=O)cc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-9-15(22)20(16(23)17-11)7-6-19-5-4-14(10-19)21-13(3)8-12(2)18-21/h8-9,14H,4-7,10H2,1-3H3,(H,17,23)/t14-/m1/s1
InChIKeyIILJNJLZUZNNNP-CQSZACIVSA-N
XLogP0.61
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 124906909) is 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(C)n([C@@H]2CCN(CCn3c(=O)cc(C)[nH]c3=O)C2)n1.
What is the InChIKey of 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is IILJNJLZUZNNNP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-9-15(22)20(16(23)17-11)7-6-19-5-4-14(10-19)21-13(3)8-12(2)18-21/h8-9,14H,4-7,10H2,1-3H3,(H,17,23)/t14-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 124906909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).