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

C17H25N5 — CID 100759697

IUPAC2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCCc1nc(C)cc(N2CCC[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5/c1-6-15-18-11(2)10-16(19-15)22-9-7-8-14(22)17-12(3)20-21(5)13(17)4/h10,14H,6-9H2,1-5H3/t14-/m1/s1
InChIKeyIQVOEEITSHJPTJ-CQSZACIVSA-N
MW299.42 g/mol
LogP3.04
Rot. Bonds3

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

2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 100759697) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID100759697
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCCc1nc(C)cc(N2CCC[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5/c1-6-15-18-11(2)10-16(19-15)22-9-7-8-14(22)17-12(3)20-21(5)13(17)4/h10,14H,6-9H2,1-5H3/t14-/m1/s1
InChIKeyIQVOEEITSHJPTJ-CQSZACIVSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (CID 100759697) is 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is CCc1nc(C)cc(N2CCC[C@@H]2c2c(C)nn(C)c2C)n1.
What is the InChIKey of 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is IQVOEEITSHJPTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5/c1-6-15-18-11(2)10-16(19-15)22-9-7-8-14(22)17-12(3)20-21(5)13(17)4/h10,14H,6-9H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 100759697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).