3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H20N4O2 — CID 112691011

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cc(C)nc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-11(19-2)16-13(15-10)14-6-5-12(18)17-7-3-4-8-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySAVJTUTYVHWXHA-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.22
Rot. Bonds5

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 112691011) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID112691011
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cc(C)nc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-11(19-2)16-13(15-10)14-6-5-12(18)17-7-3-4-8-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySAVJTUTYVHWXHA-UHFFFAOYSA-N
XLogP1.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 112634766
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
CID 107548002
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 154735878
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 112691011) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is COc1cc(C)nc(NCCC(=O)N2CCCC2)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SAVJTUTYVHWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-9-11(19-2)16-13(15-10)14-6-5-12(18)17-7-3-4-8-17/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 112691011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).