1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone

C13H20N4O — CID 126724529

IUPAC1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Nc2cc(C(C)C)ncn2)C1
InChIInChI=1S/C13H20N4O/c1-9(2)12-6-13(15-8-14-12)16-11-4-5-17(7-11)10(3)18/h6,8-9,11H,4-5,7H2,1-3H3,(H,14,15,16)/t11-/m1/s1
InChIKeyGOAZYYCWGMYSFP-LLVKDONJSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds3

About 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 126724529) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID126724529
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Nc2cc(C(C)C)ncn2)C1
InChIInChI=1S/C13H20N4O/c1-9(2)12-6-13(15-8-14-12)16-11-4-5-17(7-11)10(3)18/h6,8-9,11H,4-5,7H2,1-3H3,(H,14,15,16)/t11-/m1/s1
InChIKeyGOAZYYCWGMYSFP-LLVKDONJSA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 75390795
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-chloro-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 162458328
6-[(1-acetylpiperidin-4-yl)amino]-N-(3-chloro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 166672161
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone (CID 126724529) is 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Nc2cc(C(C)C)ncn2)C1.
What is the InChIKey of 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is GOAZYYCWGMYSFP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)12-6-13(15-8-14-12)16-11-4-5-17(7-11)10(3)18/h6,8-9,11H,4-5,7H2,1-3H3,(H,14,15,16)/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126724529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).