2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide

C10H14Cl2N4O — CID 114049502

IUPAC2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-4-10(2,13)9(17)16-8-6(11)7(12)14-5-15-8/h5H,3-4,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRCUNBTQBWMBBEB-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide

2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide (PubChem CID 114049502) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide
PubChem CID114049502
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-4-10(2,13)9(17)16-8-6(11)7(12)14-5-15-8/h5H,3-4,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRCUNBTQBWMBBEB-UHFFFAOYSA-N
XLogP2.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide (CID 114049502) is 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide?
The InChIKey is RCUNBTQBWMBBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-3-4-10(2,13)9(17)16-8-6(11)7(12)14-5-15-8/h5H,3-4,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide?
2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide has a molecular weight of 277.15 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dichloropyrimidin-4-yl)-2-methylpentanamide is sourced from PubChem (CID 114049502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).