[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone

C20H22N6O — CID 128990864

IUPAC[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCN(Cc1nccc(N)n1)C1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C20H22N6O/c1-25(13-19-23-9-6-18(21)24-19)16-7-10-26(12-16)20(27)15-4-5-17-14(11-15)3-2-8-22-17/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H2,21,23,24)
InChIKeyTXKQCCUSQMDOLD-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.95
Rot. Bonds4

About [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 128990864) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
PubChem CID128990864
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCN(Cc1nccc(N)n1)C1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C20H22N6O/c1-25(13-19-23-9-6-18(21)24-19)16-7-10-26(12-16)20(27)15-4-5-17-14(11-15)3-2-8-22-17/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H2,21,23,24)
InChIKeyTXKQCCUSQMDOLD-UHFFFAOYSA-N
XLogP1.95
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 129336431
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 129476910
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 128970954
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
CID 154799862
[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 129473614
4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 128972682
1-[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 129476380
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 154758154
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 128990914
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-phenylsulfanylethanone
CID 129476846

Frequently Asked Questions

What is the IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone (CID 128990864) is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone is CN(Cc1nccc(N)n1)C1CCN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is TXKQCCUSQMDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-25(13-19-23-9-6-18(21)24-19)16-7-10-26(12-16)20(27)15-4-5-17-14(11-15)3-2-8-22-17/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H2,21,23,24).
What are the key properties of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone?
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 128990864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).