2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide

C11H16N4O2 — CID 136713549

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-2-15(6-8(12)16)9-5-10(17)14-11(13-9)7-3-4-7/h5,7H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17)
InChIKeyXMOIUOJBQAZXQB-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (PubChem CID 136713549) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
PubChem CID136713549
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-2-15(6-8(12)16)9-5-10(17)14-11(13-9)7-3-4-7/h5,7H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17)
InChIKeyXMOIUOJBQAZXQB-UHFFFAOYSA-N
XLogP-0.04
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
2-cyclopropyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009574
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 113604528
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 113604565
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113604583
N-carbamoyl-2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 113604592
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 114581932
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 114584350
N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584525
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114584526
N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (CID 136713549) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The InChIKey is XMOIUOJBQAZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-15(6-8(12)16)9-5-10(17)14-11(13-9)7-3-4-7/h5,7H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide is sourced from PubChem (CID 136713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).