5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one

C11H16N4O2 — CID 112691898

IUPAC5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCOc1cc(C)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H16N4O2/c1-7-5-10(17-2)15-11(13-7)12-6-8-3-4-9(16)14-8/h5,8H,3-4,6H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeySVTDKVXMPPUJSO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.48
Rot. Bonds4

About 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one

5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 112691898) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID112691898
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCOc1cc(C)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H16N4O2/c1-7-5-10(17-2)15-11(13-7)12-6-8-3-4-9(16)14-8/h5,8H,3-4,6H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeySVTDKVXMPPUJSO-UHFFFAOYSA-N
XLogP0.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
5-[[(4-amino-6-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 116796036
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691744
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837784

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one (CID 112691898) is 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one is COc1cc(C)nc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is SVTDKVXMPPUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-5-10(17-2)15-11(13-7)12-6-8-3-4-9(16)14-8/h5,8H,3-4,6H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 112691898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).