4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

C22H35N5O2 — CID 112826872

IUPAC4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1=O
InChIInChI=1S/C22H35N5O2/c1-6-18(7-2)27-14-17(13-20(27)28)22(29)26-10-8-25(9-11-26)19-12-16(5)23-21(24-19)15(3)4/h12,15,17-18H,6-11,13-14H2,1-5H3
InChIKeyDYLDWNZCCNAOAC-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.59
Rot. Bonds6

About 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 112826872) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
PubChem CID112826872
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1=O
InChIInChI=1S/C22H35N5O2/c1-6-18(7-2)27-14-17(13-20(27)28)22(29)26-10-8-25(9-11-26)19-12-16(5)23-21(24-19)15(3)4/h12,15,17-18H,6-11,13-14H2,1-5H3
InChIKeyDYLDWNZCCNAOAC-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (CID 112826872) is 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is CCC(CC)N1CC(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1=O.
What is the InChIKey of 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is DYLDWNZCCNAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-6-18(7-2)27-14-17(13-20(27)28)22(29)26-10-8-25(9-11-26)19-12-16(5)23-21(24-19)15(3)4/h12,15,17-18H,6-11,13-14H2,1-5H3.
What are the key properties of 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 401.56 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 112826872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).