(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one

C14H22N4O — CID 97207107

IUPAC(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCCc1cnc(N(C)C[C@H]2CC(=O)N(CC)C2)nc1
InChIInChI=1S/C14H22N4O/c1-4-11-7-15-14(16-8-11)17(3)9-12-6-13(19)18(5-2)10-12/h7-8,12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyLNPCTVCVUHQCKZ-GFCCVEGCSA-N
MW262.36 g/mol
LogP1.34
Rot. Bonds5

About (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one (PubChem CID 97207107) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
PubChem CID97207107
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCCc1cnc(N(C)C[C@H]2CC(=O)N(CC)C2)nc1
InChIInChI=1S/C14H22N4O/c1-4-11-7-15-14(16-8-11)17(3)9-12-6-13(19)18(5-2)10-12/h7-8,12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyLNPCTVCVUHQCKZ-GFCCVEGCSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one (CID 97207107) is (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one is CCc1cnc(N(C)C[C@H]2CC(=O)N(CC)C2)nc1.
What is the InChIKey of (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is LNPCTVCVUHQCKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-11-7-15-14(16-8-11)17(3)9-12-6-13(19)18(5-2)10-12/h7-8,12H,4-6,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97207107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).