2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide

C13H21N5O — CID 106615538

IUPAC2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESCCN(CC(=O)Nc1ncccn1)CC1CCCN1
InChIInChI=1S/C13H21N5O/c1-2-18(9-11-5-3-6-14-11)10-12(19)17-13-15-7-4-8-16-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,15,16,17,19)
InChIKeyCORCXHDZZQVJOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.49
Rot. Bonds6

About 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide (PubChem CID 106615538) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
PubChem CID106615538
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESCCN(CC(=O)Nc1ncccn1)CC1CCCN1
InChIInChI=1S/C13H21N5O/c1-2-18(9-11-5-3-6-14-11)10-12(19)17-13-15-7-4-8-16-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,15,16,17,19)
InChIKeyCORCXHDZZQVJOW-UHFFFAOYSA-N
XLogP0.49
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
CID 106615127
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 106615025
N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide
CID 106632670
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide (CID 106615538) is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide is CCN(CC(=O)Nc1ncccn1)CC1CCCN1.
What is the InChIKey of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide?
The InChIKey is CORCXHDZZQVJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-18(9-11-5-3-6-14-11)10-12(19)17-13-15-7-4-8-16-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,15,16,17,19).
What are the key properties of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide?
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 106615538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).