1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

C20H20N6O — CID 130284604

IUPAC1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCCC2=O)n1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C20H20N6O/c1-14(15-4-6-16(7-5-15)17-11-21-13-22-12-17)24-20-23-9-8-18(25-20)26-10-2-3-19(26)27/h4-9,11-14H,2-3,10H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyWUZJUIIAZZHJQM-AWEZNQCLSA-N
MW360.42 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 130284604) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID130284604
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCCC2=O)n1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C20H20N6O/c1-14(15-4-6-16(7-5-15)17-11-21-13-22-12-17)24-20-23-9-8-18(25-20)26-10-2-3-19(26)27/h4-9,11-14H,2-3,10H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyWUZJUIIAZZHJQM-AWEZNQCLSA-N
XLogP3.23
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 177371369
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285962
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
6-chloro-3-[1-[[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221954
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273094
1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 69060256
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69072590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (CID 130284604) is 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is C[C@H](Nc1nccc(N2CCCC2=O)n1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is WUZJUIIAZZHJQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14(15-4-6-16(7-5-15)17-11-21-13-22-12-17)24-20-23-9-8-18(25-20)26-10-2-3-19(26)27/h4-9,11-14H,2-3,10H2,1H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 130284604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).