(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide

C14H23N5O2 — CID 137092343

IUPAC(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-9(2)19-7-3-4-10(19)14(21)16-6-5-12-17-11(15)8-13(20)18-12/h8-10H,3-7H2,1-2H3,(H,16,21)(H3,15,17,18,20)/t10-/m0/s1
InChIKeyRHXYGKSTTZTTIA-JTQLQIEISA-N
MW293.37 g/mol
LogP-0.12
Rot. Bonds5

About (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 137092343) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID137092343
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-9(2)19-7-3-4-10(19)14(21)16-6-5-12-17-11(15)8-13(20)18-12/h8-10H,3-7H2,1-2H3,(H,16,21)(H3,15,17,18,20)/t10-/m0/s1
InChIKeyRHXYGKSTTZTTIA-JTQLQIEISA-N
XLogP-0.12
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide (CID 137092343) is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[C@H]1C(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RHXYGKSTTZTTIA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)19-7-3-4-10(19)14(21)16-6-5-12-17-11(15)8-13(20)18-12/h8-10H,3-7H2,1-2H3,(H,16,21)(H3,15,17,18,20)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 137092343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).