[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone

C19H24FN5O — CID 128970954

IUPAC[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(C)c1F
InChIInChI=1S/C19H24FN5O/c1-12-8-14(9-13(2)18(12)20)19(26)25-7-5-15(10-25)24(3)11-17-22-6-4-16(21)23-17/h4,6,8-9,15H,5,7,10-11H2,1-3H3,(H2,21,22,23)
InChIKeyHJRWOWUIYVAZDE-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.16
Rot. Bonds4

About [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 128970954) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID128970954
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(C)c1F
InChIInChI=1S/C19H24FN5O/c1-12-8-14(9-13(2)18(12)20)19(26)25-7-5-15(10-25)24(3)11-17-22-6-4-16(21)23-17/h4,6,8-9,15H,5,7,10-11H2,1-3H3,(H2,21,22,23)
InChIKeyHJRWOWUIYVAZDE-UHFFFAOYSA-N
XLogP2.16
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 129473614
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
[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
[(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]-(6-propan-2-yl-3-pyridinyl)methanone
CID 154799862
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 154758154
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 128971681
1-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
CID 154803353
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]-(1-methylcycloheptyl)methanone
CID 128973335

Frequently Asked Questions

What is the IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone (CID 128970954) is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(C)c1F.
What is the InChIKey of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is HJRWOWUIYVAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-12-8-14(9-13(2)18(12)20)19(26)25-7-5-15(10-25)24(3)11-17-22-6-4-16(21)23-17/h4,6,8-9,15H,5,7,10-11H2,1-3H3,(H2,21,22,23).
What are the key properties of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone?
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(4-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 357.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 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-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 128970954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).