1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one

C16H24N4O2 — CID 50955970

IUPAC1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cc(N(C)CC2CC(=O)N(C3CCCC3)C2)ncn1
InChIInChI=1S/C16H24N4O2/c1-19(14-8-15(22-2)18-11-17-14)9-12-7-16(21)20(10-12)13-5-3-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyKFUKDCPTVWKOCA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds5

About 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one (PubChem CID 50955970) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
PubChem CID50955970
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cc(N(C)CC2CC(=O)N(C3CCCC3)C2)ncn1
InChIInChI=1S/C16H24N4O2/c1-19(14-8-15(22-2)18-11-17-14)9-12-7-16(21)20(10-12)13-5-3-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyKFUKDCPTVWKOCA-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one (CID 50955970) is 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one is COc1cc(N(C)CC2CC(=O)N(C3CCCC3)C2)ncn1.
What is the InChIKey of 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is KFUKDCPTVWKOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(14-8-15(22-2)18-11-17-14)9-12-7-16(21)20(10-12)13-5-3-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50955970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).