[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone

C19H21FN6O — CID 128971681

IUPAC[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone
SMILESCN(Cc1nccc(N)n1)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C19H21FN6O/c1-25(11-18-22-7-5-17(21)24-18)12-6-8-26(10-12)19(27)16-9-13-14(20)3-2-4-15(13)23-16/h2-5,7,9,12,23H,6,8,10-11H2,1H3,(H2,21,22,24)
InChIKeyFYNYPYTVHPLKCN-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.03
Rot. Bonds4

About [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone (PubChem CID 128971681) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone
PubChem CID128971681
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone
SMILESCN(Cc1nccc(N)n1)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C19H21FN6O/c1-25(11-18-22-7-5-17(21)24-18)12-6-8-26(10-12)19(27)16-9-13-14(20)3-2-4-15(13)23-16/h2-5,7,9,12,23H,6,8,10-11H2,1H3,(H2,21,22,24)
InChIKeyFYNYPYTVHPLKCN-UHFFFAOYSA-N
XLogP2.03
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 128970954
[(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
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
1-[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 129343373
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 128972682
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 128973335
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 129474779
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 154758154
[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 129473614
[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 129478130

Frequently Asked Questions

What is the IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone (CID 128971681) is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone is CN(Cc1nccc(N)n1)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)C1.
What is the InChIKey of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone?
The InChIKey is FYNYPYTVHPLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-25(11-18-22-7-5-17(21)24-18)12-6-8-26(10-12)19(27)16-9-13-14(20)3-2-4-15(13)23-16/h2-5,7,9,12,23H,6,8,10-11H2,1H3,(H2,21,22,24).
What are the key properties of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone?
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone has a molecular weight of 368.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 128971681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).