(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide

C13H20N4O3 — CID 164639789

IUPAC(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)Nc2ccnc(OC)n2)C1
InChIInChI=1S/C13H20N4O3/c1-3-20-9-10-5-7-17(8-10)13(18)16-11-4-6-14-12(15-11)19-2/h4,6,10H,3,5,7-9H2,1-2H3,(H,14,15,16,18)/t10-/m0/s1
InChIKeyLNCSCJXSPOBZDW-JTQLQIEISA-N
MW280.33 g/mol
LogP1.38
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 164639789) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID164639789
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)Nc2ccnc(OC)n2)C1
InChIInChI=1S/C13H20N4O3/c1-3-20-9-10-5-7-17(8-10)13(18)16-11-4-6-14-12(15-11)19-2/h4,6,10H,3,5,7-9H2,1-2H3,(H,14,15,16,18)/t10-/m0/s1
InChIKeyLNCSCJXSPOBZDW-JTQLQIEISA-N
XLogP1.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Methoxymethyl)-1-(pyrimidin-2-YL)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124052054
tert-butyl (3R)-3-[(2-aminopyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 49857009
(4S)-3-[2-[[(1S)-1-cyclopropylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489744
(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489755
(4S)-3-[2-[[(2S)-4-methylpentan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490035
1-(Oxolan-3-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51082770
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51084923
N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 118744055
1-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-3-(3-methoxypropyl)urea
CID 91911071
1-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-3-(2-methoxyethyl)urea
CID 91911076
(S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one
CID 86730270
(S)-4-Isopropyl-3-{2-[(S)-1-(1-isopropyl-piperidin-4-yl)-ethylamino]-pyrimidin-4-yl}-oxazolidin-2-one
CID 86730274

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide (CID 164639789) is (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide is CCOC[C@H]1CCN(C(=O)Nc2ccnc(OC)n2)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is LNCSCJXSPOBZDW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-9-10-5-7-17(8-10)13(18)16-11-4-6-14-12(15-11)19-2/h4,6,10H,3,5,7-9H2,1-2H3,(H,14,15,16,18)/t10-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-(2-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164639789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).