2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

C13H21N5O2 — CID 3055413

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H21N5O2/c1-3-18-6-4-5-9(18)7-15-11(19)10-8-16-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyOJTIYLGSEAWCNT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds5

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055413) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055413
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H21N5O2/c1-3-18-6-4-5-9(18)7-15-11(19)10-8-16-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyOJTIYLGSEAWCNT-UHFFFAOYSA-N
XLogP0.28
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (CID 3055413) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is CCN1CCCC1CNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is OJTIYLGSEAWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-18-6-4-5-9(18)7-15-11(19)10-8-16-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).