N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide

C11H18N4O2 — CID 136664803

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)10(17)13-5-4-8-14-7(12)6-9(16)15-8/h6H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyXOVLVDKHIPYEAD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.06
Rot. Bonds3

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 136664803) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID136664803
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)10(17)13-5-4-8-14-7(12)6-9(16)15-8/h6H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyXOVLVDKHIPYEAD-UHFFFAOYSA-N
XLogP0.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 18768451
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
N-ethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 137304332
N-[(4-Hydroxypyrimidin-2-YL)methyl]-2,2-dimethylpropanamide
CID 72214486
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-(Azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84676226
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114584400
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584435
3-(4-Chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide
CID 114584813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide (CID 136664803) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is XOVLVDKHIPYEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)10(17)13-5-4-8-14-7(12)6-9(16)15-8/h6H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136664803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).