1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

C20H28N6O — CID 46998072

IUPAC1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1-c1ccnc(NCC2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C20H28N6O/c1-13-19(14(2)25(3)24-13)17-8-9-21-20(23-17)22-11-15-10-18(27)26(12-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-12H2,1-3H3,(H,21,22,23)
InChIKeyDVKQYVBUPGAVPJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 46998072) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID46998072
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1-c1ccnc(NCC2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C20H28N6O/c1-13-19(14(2)25(3)24-13)17-8-9-21-20(23-17)22-11-15-10-18(27)26(12-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-12H2,1-3H3,(H,21,22,23)
InChIKeyDVKQYVBUPGAVPJ-UHFFFAOYSA-N
XLogP2.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (CID 46998072) is 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is Cc1nn(C)c(C)c1-c1ccnc(NCC2CC(=O)N(C3CCCC3)C2)n1.
What is the InChIKey of 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is DVKQYVBUPGAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13-19(14(2)25(3)24-13)17-8-9-21-20(23-17)22-11-15-10-18(27)26(12-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-12H2,1-3H3,(H,21,22,23).
What are the key properties of 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 368.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46998072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).