2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C10H16N4O2 — CID 136843219

IUPAC2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-13-7(4-8(15)14-6)12-5-10(2,3)9(11)16/h4H,5H2,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyDJMFJIPAUUPEDL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.00
Rot. Bonds4

About 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136843219) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136843219
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-13-7(4-8(15)14-6)12-5-10(2,3)9(11)16/h4H,5H2,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyDJMFJIPAUUPEDL-UHFFFAOYSA-N
XLogP0.00
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979153
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120302584
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-prop-2-enylguanidine
CID 120302585
1,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine;hydroiodide
CID 120302590
1,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 120302591
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-propan-2-ylguanidine
CID 120302597
1,3-diethyl-2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 121823162
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 121829081
1-butan-2-yl-2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 121829103

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136843219) is 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is Cc1nc(NCC(C)(C)C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is DJMFJIPAUUPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-13-7(4-8(15)14-6)12-5-10(2,3)9(11)16/h4H,5H2,1-3H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136843219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).