1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione

C17H25N5O2 — CID 56780704

IUPAC1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1CCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H25N5O2/c1-11-16(12(2)21(5)18-11)14-7-6-8-22(14)10-13-9-15(23)20(4)17(24)19(13)3/h9,14H,6-8,10H2,1-5H3
InChIKeyLQHYUECAZLJLPY-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.77
Rot. Bonds3

About 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 56780704) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID56780704
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1CCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H25N5O2/c1-11-16(12(2)21(5)18-11)14-7-6-8-22(14)10-13-9-15(23)20(4)17(24)19(13)3/h9,14H,6-8,10H2,1-5H3
InChIKeyLQHYUECAZLJLPY-UHFFFAOYSA-N
XLogP0.77
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (CID 56780704) is 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is Cc1nn(C)c(C)c1C1CCCN1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is LQHYUECAZLJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-16(12(2)21(5)18-11)14-7-6-8-22(14)10-13-9-15(23)20(4)17(24)19(13)3/h9,14H,6-8,10H2,1-5H3.
What are the key properties of 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56780704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).