3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C10H15ClN4O2 — CID 136843237

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyIXRZBOFLRHWSJI-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.61
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 136843237) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID136843237
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyIXRZBOFLRHWSJI-UHFFFAOYSA-N
XLogP0.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 136843237) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is IXRZBOFLRHWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 258.71 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136843237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).