2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide

C10H16BrN5O — CID 80806174

IUPAC2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(N)ncc1Br
InChIInChI=1S/C10H16BrN5O/c1-3-4-16(6-8(17)13-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyLYZYORGWHBNTIA-UHFFFAOYSA-N
MW302.18 g/mol
LogP0.78
Rot. Bonds5

About 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide

2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide (PubChem CID 80806174) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
PubChem CID80806174
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(N)ncc1Br
InChIInChI=1S/C10H16BrN5O/c1-3-4-16(6-8(17)13-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyLYZYORGWHBNTIA-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-chloropyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 79073261
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808590
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
CID 114995053
2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
CID 82817459
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide
CID 79399042
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80806098
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
CID 80509081
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide (CID 80806174) is 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(N)ncc1Br.
What is the InChIKey of 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide?
The InChIKey is LYZYORGWHBNTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-3-4-16(6-8(17)13-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15).
What are the key properties of 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide?
2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide has a molecular weight of 302.18 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 80806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).