3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

C11H15ClN4O2 — CID 113410948

IUPAC3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C11H15ClN4O2/c1-7(2)16-9(18)3-4-13-11-8(5-17)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H,16,18)(H,13,14,15)
InChIKeyKODOOFINNCJJCI-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.27
Rot. Bonds6

About 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 113410948) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID113410948
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C11H15ClN4O2/c1-7(2)16-9(18)3-4-13-11-8(5-17)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H,16,18)(H,13,14,15)
InChIKeyKODOOFINNCJJCI-UHFFFAOYSA-N
XLogP1.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (CID 113410948) is 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ncnc(Cl)c1C=O.
What is the InChIKey of 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is KODOOFINNCJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(2)16-9(18)3-4-13-11-8(5-17)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H,16,18)(H,13,14,15).
What are the key properties of 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 270.72 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113410948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).