(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H16N4O2 — CID 99638697

IUPAC(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CC[C@H](C(N)=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16)/t8-/m0/s1
InChIKeyODJAJBFBWIJUDY-QMMMGPOBSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds4

About (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide

(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 99638697) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID99638697
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CC[C@H](C(N)=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16)/t8-/m0/s1
InChIKeyODJAJBFBWIJUDY-QMMMGPOBSA-N
XLogP0.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidine-4-carboxamide
CID 50950377
2-[(3aR,6aS)-2-(6-methoxypyrimidin-4-yl)-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N,N-dimethylacetamide
CID 97413119
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
N,N-Dimethyl-6-(3-pyrrolidinyloxy)-4-pyrimidinamine
CID 53185902
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
4-{[(2-Amino-6-isopropoxypyrimidin-4-YL)(methyl)amino]methyl}-1-tert-butylpyrrolidin-2-one
CID 50974711
(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 95108066
(2S)-1-(6-ethoxypyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
CID 97839669
(3S)-1-(4-ethoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129614772
(4R)-4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 129624523
6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 171359123

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 99638697) is (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide is CCOc1cc(N2CC[C@H](C(N)=O)C2)ncn1.
What is the InChIKey of (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ODJAJBFBWIJUDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-10-5-9(13-7-14-10)15-4-3-8(6-15)11(12)16/h5,7-8H,2-4,6H2,1H3,(H2,12,16)/t8-/m0/s1.
What are the key properties of (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide?
(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 99638697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).