(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane

C18H24N4O — CID 142913175

IUPAC(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
SMILESC.N[C@H](Cc1ccc(-c2ncccn2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C17H20N4O.CH4/c18-15(17(22)21-10-1-2-11-21)12-13-4-6-14(7-5-13)16-19-8-3-9-20-16;/h3-9,15H,1-2,10-12,18H2;1H4/t15-;/m1./s1
InChIKeyARRZAMCMWCVOES-XFULWGLBSA-N
MW312.42 g/mol
LogP2.27
Rot. Bonds4

About (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane

(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane (PubChem CID 142913175) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
PubChem CID142913175
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
SMILESC.N[C@H](Cc1ccc(-c2ncccn2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C17H20N4O.CH4/c18-15(17(22)21-10-1-2-11-21)12-13-4-6-14(7-5-13)16-19-8-3-9-20-16;/h3-9,15H,1-2,10-12,18H2;1H4/t15-;/m1./s1
InChIKeyARRZAMCMWCVOES-XFULWGLBSA-N
XLogP2.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-1-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one
CID 142895309
tert-butyl N-[(2R)-1-oxo-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 58648602
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 23002640
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane?
The IUPAC name of (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane (CID 142913175) is (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane.
What is the SMILES notation for (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane?
The canonical SMILES for (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane is C.N[C@H](Cc1ccc(-c2ncccn2)cc1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane?
The InChIKey is ARRZAMCMWCVOES-XFULWGLBSA-N. The full InChI is InChI=1S/C17H20N4O.CH4/c18-15(17(22)21-10-1-2-11-21)12-13-4-6-14(7-5-13)16-19-8-3-9-20-16;/h3-9,15H,1-2,10-12,18H2;1H4/t15-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane?
(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane has a molecular weight of 312.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane is sourced from PubChem (CID 142913175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).