2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

C10H16BrN5O — CID 80805687

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15)
InChIKeyOTDJTWMOVVACBN-UHFFFAOYSA-N
MW302.18 g/mol
LogP0.98
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (PubChem CID 80805687) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
PubChem CID80805687
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15)
InChIKeyOTDJTWMOVVACBN-UHFFFAOYSA-N
XLogP0.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (CID 80805687) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide is CNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The InChIKey is OTDJTWMOVVACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide has a molecular weight of 302.18 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80805687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).