N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide

C13H22N4O2 — CID 110487363

IUPACN-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncc(CCC(=O)NCCN(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-19-13-15-9-11(10-16-13)5-6-12(18)14-7-8-17(2)3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyZKCQCDLFZUGTAX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.49
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide (PubChem CID 110487363) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide
PubChem CID110487363
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncc(CCC(=O)NCCN(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-19-13-15-9-11(10-16-13)5-6-12(18)14-7-8-17(2)3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyZKCQCDLFZUGTAX-UHFFFAOYSA-N
XLogP0.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[(5-Ethyl-2-methylpyrimidin-4-yl)amino]ethyl}piperidine-3-carboxamide
CID 50958308
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
CID 162657491
3-(Pyrimidin-5-yl)propanamide
CID 91363418
1-{3-[(5-Ethylpyrimidin-2-YL)amino]propyl}pyrrolidin-2-one
CID 72902049
(4R)-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 97187270
(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide
CID 97207519
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-[(2R)-2-tert-butylmorpholin-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 125143776
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide
CID 178045620
3-pyrimidin-5-yl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)propanamide
CID 137977008

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide (CID 110487363) is N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide is CCOc1ncc(CCC(=O)NCCN(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide?
The InChIKey is ZKCQCDLFZUGTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-19-13-15-9-11(10-16-13)5-6-12(18)14-7-8-17(2)3/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 110487363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).