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

C12H19N5O — CID 3042986

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1
InChIInChI=1S/C12H19N5O/c1-2-17-5-3-4-10(17)8-14-11(18)9-6-15-12(13)16-7-9/h6-7,10H,2-5,8H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyXGZLOXNZLNUCOF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.27
Rot. Bonds4

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

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 3042986) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID3042986
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1
InChIInChI=1S/C12H19N5O/c1-2-17-5-3-4-10(17)8-14-11(18)9-6-15-12(13)16-7-9/h6-7,10H,2-5,8H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyXGZLOXNZLNUCOF-UHFFFAOYSA-N
XLogP0.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (CID 3042986) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is CCN1CCCC1CNC(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is XGZLOXNZLNUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-17-5-3-4-10(17)8-14-11(18)9-6-15-12(13)16-7-9/h6-7,10H,2-5,8H2,1H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 3042986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).