3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

C14H21N5O2 — CID 126888237

IUPAC3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(C3CCNC3=O)CC2)ncn1
InChIInChI=1S/C14H21N5O2/c1-21-13-8-12(16-9-17-13)18-10-3-6-19(7-4-10)11-2-5-15-14(11)20/h8-11H,2-7H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyVAFMJJZXAADPCA-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.25
Rot. Bonds4

About 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 126888237) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
PubChem CID126888237
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(C3CCNC3=O)CC2)ncn1
InChIInChI=1S/C14H21N5O2/c1-21-13-8-12(16-9-17-13)18-10-3-6-19(7-4-10)11-2-5-15-14(11)20/h8-11H,2-7H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyVAFMJJZXAADPCA-UHFFFAOYSA-N
XLogP0.25
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
CID 126889834
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
CID 126888240
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888026

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (CID 126888237) is 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is COc1cc(NC2CCN(C3CCNC3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is VAFMJJZXAADPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-21-13-8-12(16-9-17-13)18-10-3-6-19(7-4-10)11-2-5-15-14(11)20/h8-11H,2-7H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126888237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).