3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

C10H15ClN4O — CID 103823329

IUPAC3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H15ClN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyMIKRFPRMWXJWQW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.31
Rot. Bonds4

About 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 103823329) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID103823329
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H15ClN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyMIKRFPRMWXJWQW-UHFFFAOYSA-N
XLogP1.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 103823329) is 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is MIKRFPRMWXJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103823329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).